CID 1254

Menthol

Structural Information

Molecular Formula
C10H20O
SMILES
CC1CCC(C(C1)O)C(C)C
InChI
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
InChIKey
NOOLISFMXDJSKH-UHFFFAOYSA-N
Compound name
5-methyl-2-propan-2-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3340
References

167231
Patents

156.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 136.7
[M+Na]+ 179.14063 147.1
[M+NH4]+ 174.18523 145.6
[M+K]+ 195.11457 141.4
[M-H]- 155.14413 138.4
[M+Na-2H]- 177.12608 140.7
[M]+ 156.15086 138.5
[M]- 156.15196 138.5
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