CID 13013

Aziridinecarboxylic acid, propyl ester

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CCCOC(=O)N1CC1

InChI

InChI=1S/C6H11NO2/c1-2-5-9-6(8)7-3-4-7/h2-5H2,1H3

InChIKey

IUFIMAVKWGQGQX-UHFFFAOYSA-N

Compound name

propyl aziridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 129.07898 Da
Monoisotopic Mass: 0.8
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]+	130.086256	131.2
[M+Na]+	152.068198	140.6
[M-H]-	128.071704	134.6
[M+NH4]+	147.112803	147.3
[M+K]+	168.042138	139.4
[M+H-H2O]+	112.076240	124.7
[M+HCOO]-	174.077181	153.8
[M+CH3COO]-	188.092831	174.5
[M+Na-2H]-	150.053646	137.2
[M]+	129.07843142	135.4
[M]-	129.07952858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe