CID 95901

22480-27-9

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C=CCOC(=O)CCN1CC1

InChI

InChI=1S/C8H13NO2/c1-2-7-11-8(10)3-4-9-5-6-9/h2H,1,3-7H2

InChIKey

UZUDNCVBLBBXRJ-UHFFFAOYSA-N

Compound name

prop-2-enyl 3-(aziridin-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 155.09464 Da
Monoisotopic Mass: 0.5
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]+	156.101916	138.5
[M+Na]+	178.083858	147.3
[M-H]-	154.087364	141.5
[M+NH4]+	173.128463	153.4
[M+K]+	194.057798	145.0
[M+H-H2O]+	138.091900	131.6
[M+HCOO]-	200.092841	160.6
[M+CH3COO]-	214.108491	180.1
[M+Na-2H]-	176.069306	143.5
[M]+	155.09409142	142.8
[M]-	155.09518858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe