CID 521185

Alpha-caryophyllene alcohol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1(CC2C(C1)C3(CCCC2(C3O)C)C)C
InChI
InChI=1S/C15H26O/c1-13(2)8-10-11(9-13)15(4)7-5-6-14(10,3)12(15)16/h10-12,16H,5-9H2,1-4H3
InChIKey
MJYUBUQHKCAJQR-UHFFFAOYSA-N
Compound name
1,4,4,7-tetramethyltricyclo[5.3.1.02,6]undecan-11-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

8
Patents

222.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 155.6
[M+Na]+ 245.18758 164.0
[M-H]- 221.19108 158.1
[M+NH4]+ 240.23218 185.8
[M+K]+ 261.16152 159.0
[M+H-H2O]+ 205.19562 152.8
[M+HCOO]- 267.19656 170.3
[M+CH3COO]- 281.21221 167.7
[M+Na-2H]- 243.17303 158.4
[M]+ 222.19781 153.0
[M]- 222.19891 153.0
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.