CID 131751702

6alpha-carissanol

Structural Information

Molecular Formula
C15H24O3
SMILES
CC1=C2C(C(CCC2(CCC1=O)C)C(C)(C)O)O
InChI
InChI=1S/C15H24O3/c1-9-11(16)6-8-15(4)7-5-10(14(2,3)18)13(17)12(9)15/h10,13,17-18H,5-8H2,1-4H3
InChIKey
SFZZQUDRSYFRDA-UHFFFAOYSA-N
Compound name
8-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 158.9
[M+Na]+ 275.16177 165.5
[M-H]- 251.16527 160.4
[M+NH4]+ 270.20637 178.4
[M+K]+ 291.13571 162.4
[M+H-H2O]+ 235.16981 155.0
[M+HCOO]- 297.17075 171.6
[M+CH3COO]- 311.18640 193.3
[M+Na-2H]- 273.14722 162.0
[M]+ 252.17200 155.5
[M]- 252.17310 155.5
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

No patent data available for this compound.