CID 75179

Bis(dimethylamino)acetonitrile

Structural Information

Molecular Formula

C₆H₁₃N₃

SMILES

CN(C)C(C#N)N(C)C

InChI

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

InChIKey

YYIDBCAXHPPALW-UHFFFAOYSA-N

Compound name

2,2-bis(dimethylamino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 127.11095 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]+	128.118226	128.6
[M+Na]+	150.100168	135.8
[M-H]-	126.103674	131.8
[M+NH4]+	145.144773	149.0
[M+K]+	166.074108	138.4
[M+H-H2O]+	110.108210	116.3
[M+HCOO]-	172.109151	150.5
[M+CH3COO]-	186.124801	198.0
[M+Na-2H]-	148.085616	133.0
[M]+	127.11040142	124.9
[M]-	127.11149858	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe