CID 129903225

5-[(5s,6s)-5-bromo-2,6-dimethyl-6-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methyl-pent-1-en-3-ol

Structural Information

Molecular Formula
C20H33BrO
SMILES
CC1=CC[C@@H]([C@@](C1CCC(C)(C=C)O)(C)CCC=C(C)C)Br
InChI
InChI=1S/C20H33BrO/c1-7-19(5,22)14-12-17-16(4)10-11-18(21)20(17,6)13-8-9-15(2)3/h7,9-10,17-18,22H,1,8,11-14H2,2-6H3/t17?,18-,19?,20-/m0/s1
InChIKey
KNYOIQFIGFMYJD-PCODVIEZSA-N
Compound name
5-[(5S,6S)-5-bromo-2,6-dimethyl-6-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.17148 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.17876 184.9
[M+Na]+ 391.16070 192.9
[M-H]- 367.16420 188.7
[M+NH4]+ 386.20530 203.1
[M+K]+ 407.13464 179.3
[M+H-H2O]+ 351.16874 185.8
[M+HCOO]- 413.16968 197.3
[M+CH3COO]- 427.18533 214.7
[M+Na-2H]- 389.14615 184.9
[M]+ 368.17093 203.0
[M]- 368.17203 203.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.