CID 36652

Methylaminoacetonitrile

Structural Information

Molecular Formula

C₃H₆N₂

SMILES

CNCC#N

InChI

InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3

InChIKey

PVVRRUUMHFWFQV-UHFFFAOYSA-N

Compound name

2-(methylamino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1606
Patents: 70.0531 Da
Monoisotopic Mass: -0.4
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]+	71.060376	110.1
[M+Na]+	93.042318	119.3
[M-H]-	69.045824	111.3
[M+NH4]+	88.086923	132.0
[M+K]+	109.01626	119.7
[M+H-H2O]+	53.050360	99.4
[M+HCOO]-	115.05130	132.2
[M+CH3COO]-	129.06695	178.2
[M+Na-2H]-	91.027766	118.7
[M]+	70.052551	104.7
[M]-	70.053649	104.7

Literature stripe

literature stripe

Patent stripe

patents stripe