CID 32214

1-aziridinepropionic acid, cyclohexyl ester

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

C1CCC(CC1)OC(=O)CCN2CC2

InChI

InChI=1S/C11H19NO2/c13-11(6-7-12-8-9-12)14-10-4-2-1-3-5-10/h10H,1-9H2

InChIKey

JBDLTFGKWNPFCZ-UHFFFAOYSA-N

Compound name

cyclohexyl 3-(aziridin-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.14159 Da
Monoisotopic Mass: 1.7
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]+	198.14887	149.3
[M+Na]+	220.13081	154.9
[M-H]-	196.13431	154.2
[M+NH4]+	215.17541	162.0
[M+K]+	236.10475	152.9
[M+H-H2O]+	180.13885	141.4
[M+HCOO]-	242.13979	167.8
[M+CH3COO]-	256.15544	186.2
[M+Na-2H]-	218.11626	152.5
[M]+	197.14104	148.8
[M]-	197.14214	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe