CID 12937417

N-(aminocarbonyl)-3-chloropropanamide

Structural Information

Molecular Formula

C₄H₇ClN₂O₂

SMILES

C(CCl)C(=O)NC(=O)N

InChI

InChI=1S/C4H7ClN2O2/c5-2-1-3(8)7-4(6)9/h1-2H2,(H3,6,7,8,9)

InChIKey

HRYUUBFCDGPNLW-UHFFFAOYSA-N

Compound name

N-carbamoyl-3-chloropropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 150.0196 Da
Monoisotopic Mass: -0.2
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]+	151.02688	127.7
[M+Na]+	173.00882	136.0
[M+NH4]+	168.05342	134.5
[M+K]+	188.98276	132.3
[M-H]-	149.01232	126.6
[M+Na-2H]-	170.99427	130.4
[M]+	150.01905	128.3
[M]-	150.02015	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe