CID 360253

Curcuphenol

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=CC(=C(C=C1)[C@H](C)CCC=C(C)C)O
InChI
InChI=1S/C15H22O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,8-10,13,16H,5,7H2,1-4H3/t13-/m1/s1
InChIKey
BTXSROVNGICYFE-CYBMUJFWSA-N
Compound name
5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

51
Patents

218.16707 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 153.1
[M+Na]+ 241.15629 159.4
[M-H]- 217.15979 155.2
[M+NH4]+ 236.20089 171.5
[M+K]+ 257.13023 156.0
[M+H-H2O]+ 201.16433 147.5
[M+HCOO]- 263.16527 172.7
[M+CH3COO]- 277.18092 191.3
[M+Na-2H]- 239.14174 153.8
[M]+ 218.16652 153.5
[M]- 218.16762 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe