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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.