CID 68646527

Methyl 3-(1-aminocyclohexyl)propanoate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

COC(=O)CCC1(CCCCC1)N

InChI

InChI=1S/C10H19NO2/c1-13-9(12)5-8-10(11)6-3-2-4-7-10/h2-8,11H2,1H3

InChIKey

NDYACYLLNUSTGP-UHFFFAOYSA-N

Compound name

methyl 3-(1-aminocyclohexyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 185.14159 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]+	186.14887	144.0
[M+Na]+	208.13081	152.3
[M+NH4]+	203.17541	153.1
[M+K]+	224.10475	145.3
[M-H]-	184.13431	145.4
[M+Na-2H]-	206.11626	149.2
[M]+	185.14104	145.4
[M]-	185.14214	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe