CID 6442554

Kolavenol

Structural Information

Molecular Formula
C20H34O
SMILES
C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/CO)/C)CCC=C2C)C
InChI
InChI=1S/C20H34O/c1-15(11-14-21)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18,21H,6,8-10,12-14H2,1-5H3/b15-11+/t17-,18-,19+,20+/m1/s1
InChIKey
PQTMZYKTDFKGKV-UUMJGGROSA-N
Compound name
(E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

42
Patents

290.26096 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 174.0
[M+Na]+ 313.25018 178.5
[M-H]- 289.25368 175.8
[M+NH4]+ 308.29478 194.5
[M+K]+ 329.22412 174.1
[M+H-H2O]+ 273.25822 169.0
[M+HCOO]- 335.25916 186.8
[M+CH3COO]- 349.27481 204.8
[M+Na-2H]- 311.23563 174.2
[M]+ 290.26041 170.8
[M]- 290.26151 170.8
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.