CID 91799283

7605-52-9

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

C[C@H]1CCC[C@H](C1)C(=O)OC

InChI

InChI=1S/C9H16O2/c1-7-4-3-5-8(6-7)9(10)11-2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1

InChIKey

AWZWUAFNPBYDLB-JGVFFNPUSA-N

Compound name

methyl (1R,3S)-3-methylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 94
Patents: 156.11504 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	157.12232	134.7
[M+Na]+	179.10426	145.2
[M+NH4]+	174.14886	143.3
[M+K]+	195.07820	139.6
[M-H]-	155.10776	136.3
[M+Na-2H]-	177.08971	139.2
[M]+	156.11449	136.4
[M]-	156.11559	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe