CID 8015

109-82-0

Structural Information

Molecular Formula

C₃H₄N₂

SMILES

C=NCC#N

InChI

InChI=1S/C3H4N2/c1-5-3-2-4/h1,3H2

InChIKey

GFZMFCVDDFHSJK-UHFFFAOYSA-N

Compound name

2-(methylideneamino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 404
Patents: 68.037445 Da
Monoisotopic Mass: 1.3
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]+	69.044721	108.3
[M+Na]+	91.026663	118.2
[M-H]-	67.030169	110.8
[M+NH4]+	86.071268	130.8
[M+K]+	107.00060	118.8
[M+H-H2O]+	51.034705	97.4
[M+HCOO]-	113.03565	131.9
[M+CH3COO]-	127.05130	179.8
[M+Na-2H]-	89.012111	117.4
[M]+	68.036896	103.9
[M]-	68.037994	103.9

Literature stripe

literature stripe

Patent stripe

patents stripe