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

334
References

49761
Patents

222.19836 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 156.6
[M+Na]+ 245.187578 160.6
[M-H]- 221.191084 157.8
[M+NH4]+ 240.232183 174.6
[M+K]+ 261.161518 157.6
[M+H-H2O]+ 205.195620 151.4
[M+HCOO]- 267.196561 172.7
[M+CH3COO]- 281.212211 190.4
[M+Na-2H]- 243.173026 158.0
[M]+ 222.19781142 154.0
[M]- 222.19890858 154.0
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