CID 155926100

Chebi:173121

Structural Information

Molecular Formula
C15H26O
SMILES
CC1=C[C@H]([C@@H](CC1)[C@H](C)CCC=C(C)C)O
InChI
InChI=1S/C15H26O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-16H,5,7-9H2,1-4H3/t13-,14+,15-/m1/s1
InChIKey
ZOYAMQNIYAMHTE-QLFBSQMISA-N
Compound name
(1S,6S)-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 156.9
[M+Na]+ 245.18758 166.9
[M+NH4]+ 240.23218 164.6
[M+K]+ 261.16152 160.5
[M-H]- 221.19108 158.2
[M+Na-2H]- 243.17303 159.9
[M]+ 222.19781 158.5
[M]- 222.19891 158.5
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

patents stripe