CID 74055

1448-98-2

Structural Information

Molecular Formula

C₄H₅N₃O₂

SMILES

C(C#N)C(=O)NC(=O)N

InChI

InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(6)9/h1H2,(H3,6,7,8,9)

InChIKey

QJGRPCPCQQPZLZ-UHFFFAOYSA-N

Compound name

N-carbamoyl-2-cyanoacetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 359
Patents: 127.03818 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]+	128.045456	127.0
[M+Na]+	150.027398	134.9
[M-H]-	126.030904	127.5
[M+NH4]+	145.072003	145.8
[M+K]+	166.001338	135.6
[M+H-H2O]+	110.035440	115.1
[M+HCOO]-	172.036381	147.8
[M+CH3COO]-	186.052031	187.1
[M+Na-2H]-	148.012846	131.3
[M]+	127.03763142	119.9
[M]-	127.03872858	119.9

Literature stripe

literature stripe

Patent stripe

patents stripe