CID 57564

1-aziridinepropionic acid, cyclopentyl ester

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

C1CCC(C1)OC(=O)CCN2CC2

InChI

InChI=1S/C10H17NO2/c12-10(5-6-11-7-8-11)13-9-3-1-2-4-9/h9H,1-8H2

InChIKey

FMQKXMGSZIIYOO-UHFFFAOYSA-N

Compound name

cyclopentyl 3-(aziridin-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.12593 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]+	184.133206	144.3
[M+Na]+	206.115148	151.2
[M-H]-	182.118654	149.6
[M+NH4]+	201.159753	159.3
[M+K]+	222.089088	149.1
[M+H-H2O]+	166.123190	137.0
[M+HCOO]-	228.124131	164.9
[M+CH3COO]-	242.139781	183.0
[M+Na-2H]-	204.100596	146.7
[M]+	183.12538142	145.4
[M]-	183.12647858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe