CID 519857

1-epi-cubenol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CCC(C2C1(CCC(=C2)C)O)C(C)C
InChI
InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3
InChIKey
COGPRPSWSKLKTF-UHFFFAOYSA-N
Compound name
4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

374
Patents

222.19836 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.4
[M+Na]+ 245.18758 159.6
[M-H]- 221.19108 156.8
[M+NH4]+ 240.23218 175.6
[M+K]+ 261.16152 156.7
[M+H-H2O]+ 205.19562 149.5
[M+HCOO]- 267.19656 168.6
[M+CH3COO]- 281.21221 191.6
[M+Na-2H]- 243.17303 155.9
[M]+ 222.19781 149.8
[M]- 222.19891 149.8
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