CID 121767

Cyclohexanol, methyl-, acetate

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(=O)OC1(CCCCC1)C
InChI
InChI=1S/C9H16O2/c1-8(10)11-9(2)6-4-3-5-7-9/h3-7H2,1-2H3
InChIKey
VVDZWMOQABVVHC-UHFFFAOYSA-N
Compound name
(1-methylcyclohexyl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2046
Patents

156.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 134.8
[M+Na]+ 179.10426 140.1
[M-H]- 155.10776 137.8
[M+NH4]+ 174.14886 157.5
[M+K]+ 195.07820 140.1
[M+H-H2O]+ 139.11230 130.2
[M+HCOO]- 201.11324 154.7
[M+CH3COO]- 215.12889 175.3
[M+Na-2H]- 177.08971 139.9
[M]+ 156.11449 132.2
[M]- 156.11559 132.2
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