CID 10955174

Patchouli alcohol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)C)O
InChI
InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1
InChIKey
GGHMUJBZYLPWFD-CUZKYEQNSA-N
Compound name
(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

140
References

4291
Patents

222.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 155.0
[M+Na]+ 245.18758 160.5
[M-H]- 221.19108 152.8
[M+NH4]+ 240.23218 183.4
[M+K]+ 261.16152 156.2
[M+H-H2O]+ 205.19562 149.1
[M+HCOO]- 267.19656 161.6
[M+CH3COO]- 281.21221 164.7
[M+Na-2H]- 243.17303 163.5
[M]+ 222.19781 153.7
[M]- 222.19891 153.7
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