CID 59662

N-allyl-1-aziridinepropionamide

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

C=CCNC(=O)CCN1CC1

InChI

InChI=1S/C8H14N2O/c1-2-4-9-8(11)3-5-10-6-7-10/h2H,1,3-7H2,(H,9,11)

InChIKey

OLVVHOCHCCVRJF-UHFFFAOYSA-N

Compound name

3-(aziridin-1-yl)-N-prop-2-enylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.11061 Da
Monoisotopic Mass: -0.1
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]+	155.117886	137.9
[M+Na]+	177.099828	145.9
[M-H]-	153.103334	140.9
[M+NH4]+	172.144433	152.6
[M+K]+	193.073768	143.0
[M+H-H2O]+	137.107870	130.9
[M+HCOO]-	199.108811	160.9
[M+CH3COO]-	213.124461	182.7
[M+Na-2H]-	175.085276	143.3
[M]+	154.11006142	140.1
[M]-	154.11115858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe