CID 10964775

837359-97-4

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

COC(=O)[C@H]1CCCC[C@@H]1N

InChI

InChI=1S/C8H15NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h6-7H,2-5,9H2,1H3/t6-,7-/m0/s1

InChIKey

SUYHWZRODJBJER-BQBZGAKWSA-N

Compound name

methyl (1S,2S)-2-aminocyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 157.11028 Da
Monoisotopic Mass: 1.1
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]+	158.11756	134.6
[M+Na]+	180.09950	139.4
[M-H]-	156.10300	137.1
[M+NH4]+	175.14410	154.9
[M+K]+	196.07344	139.0
[M+H-H2O]+	140.10754	129.0
[M+HCOO]-	202.10848	155.1
[M+CH3COO]-	216.12413	178.0
[M+Na-2H]-	178.08495	137.6
[M]+	157.10973	129.9
[M]-	157.11083	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe