CID 3024698

1-(2-cyanoethyl)-n,2,2-trimethylhydrazinecarboxamide

Structural Information

Molecular Formula

C₇H₁₄N₄O

SMILES

CNC(=O)N(CCC#N)N(C)C

InChI

InChI=1S/C7H14N4O/c1-9-7(12)11(10(2)3)6-4-5-8/h4,6H2,1-3H3,(H,9,12)

InChIKey

SKORXLZMBSDRDI-UHFFFAOYSA-N

Compound name

1-(2-cyanoethyl)-1-(dimethylamino)-3-methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.11676 Da
Monoisotopic Mass: -0.5
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]+	171.12404	139.8
[M+Na]+	193.10598	146.0
[M-H]-	169.10948	142.7
[M+NH4]+	188.15058	158.2
[M+K]+	209.07992	148.5
[M+H-H2O]+	153.11402	126.6
[M+HCOO]-	215.11496	162.5
[M+CH3COO]-	229.13061	204.8
[M+Na-2H]-	191.09143	143.7
[M]+	170.11621	136.0
[M]-	170.11731	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe