CID 3080551

Drimenol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1=CC[C@@H]2[C@@]([C@H]1CO)(CCCC2(C)C)C
InChI
InChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m0/s1
InChIKey
HMWSKUKBAWWOJL-KCQAQPDRSA-N
Compound name
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

178
Patents

222.19836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 153.2
[M+Na]+ 245.18758 159.8
[M-H]- 221.19108 156.0
[M+NH4]+ 240.23218 176.6
[M+K]+ 261.16152 156.6
[M+H-H2O]+ 205.19562 148.7
[M+HCOO]- 267.19656 168.5
[M+CH3COO]- 281.21221 190.4
[M+Na-2H]- 243.17303 157.2
[M]+ 222.19781 149.7
[M]- 222.19891 149.7
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.