CID 442343

Levomenol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1=CC[C@H](CC1)[C@](C)(CCC=C(C)C)O
InChI
InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1
InChIKey
RGZSQWQPBWRIAQ-CABCVRRESA-N
Compound name
(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

332
References

45227
Patents

222.19836 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 156.9
[M+Na]+ 245.18758 166.7
[M+NH4]+ 240.23218 164.6
[M+K]+ 261.16152 160.5
[M-H]- 221.19108 157.7
[M+Na-2H]- 243.17303 160.5
[M]+ 222.19781 158.4
[M]- 222.19891 158.4
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