CID 9554253

53646-01-8

Structural Information

Molecular Formula

C₄H₈ClN₃O

SMILES

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

InChI

InChI=1S/C4H8ClN3O/c1-3(2-5)7-8-4(6)9/h2H2,1H3,(H3,6,8,9)/b7-3+

InChIKey

RJVJMYIGSGZOGT-XVNBXDOJSA-N

Compound name

[(E)-1-chloropropan-2-ylideneamino]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 149.03558 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]+	150.04286	130.4
[M+Na]+	172.02480	137.2
[M-H]-	148.02830	131.8
[M+NH4]+	167.06940	151.8
[M+K]+	187.99874	135.9
[M+H-H2O]+	132.03284	125.7
[M+HCOO]-	194.03378	152.8
[M+CH3COO]-	208.04943	182.1
[M+Na-2H]-	170.01025	135.3
[M]+	149.03503	129.7
[M]-	149.03613	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe