CID 170460

2-cyano-n-[(ethylamino)carbonyl]acetamide

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

CCNC(=O)NC(=O)CC#N

InChI

InChI=1S/C6H9N3O2/c1-2-8-6(11)9-5(10)3-4-7/h2-3H2,1H3,(H2,8,9,10,11)

InChIKey

QDSMMCFEDQQODS-UHFFFAOYSA-N

Compound name

2-cyano-N-(ethylcarbamoyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 24
Patents: 155.06947 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]+	156.07675	134.6
[M+Na]+	178.05869	141.8
[M-H]-	154.06219	135.2
[M+NH4]+	173.10329	152.7
[M+K]+	194.03263	142.3
[M+H-H2O]+	138.06673	122.4
[M+HCOO]-	200.06767	155.5
[M+CH3COO]-	214.08332	192.5
[M+Na-2H]-	176.04414	139.0
[M]+	155.06892	129.0
[M]-	155.07002	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe