CID 209146

1-(2-cyanoethyl)-1-isopropyl hydrazine

Structural Information

Molecular Formula

C₆H₁₃N₃

SMILES

CC(C)N(CCC#N)N

InChI

InChI=1S/C6H13N3/c1-6(2)9(8)5-3-4-7/h6H,3,5,8H2,1-2H3

InChIKey

ZHVKHIASMJZTAH-UHFFFAOYSA-N

Compound name

3-[amino(propan-2-yl)amino]propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 127.11095 Da
Monoisotopic Mass: 0.0
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]+	128.118226	129.2
[M+Na]+	150.100168	136.3
[M-H]-	126.103674	130.6
[M+NH4]+	145.144773	148.8
[M+K]+	166.074108	137.4
[M+H-H2O]+	110.108210	117.1
[M+HCOO]-	172.109151	150.1
[M+CH3COO]-	186.124801	194.1
[M+Na-2H]-	148.085616	133.3
[M]+	127.11040142	123.4
[M]-	127.11149858	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe