CID 6342

Acetonitrile

Structural Information

Molecular Formula

SMILES

CC#N

InChI

InChI=1S/C2H3N/c1-2-3/h1H3

InChIKey

WEVYAHXRMPXWCK-UHFFFAOYSA-N

Compound name

acetonitrile

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 18795
References: 301065
Patents: 41.02655 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]+	42.033826	100.7
[M+Na]+	64.015768	111.2
[M-H]-	40.019274	102.3
[M+NH4]+	59.060373	124.0
[M+K]+	79.989708	111.8
[M+H-H2O]+	24.023810	90.8
[M+HCOO]-	86.024751	122.3
[M+CH3COO]-	100.04040	171.9
[M+Na-2H]-	62.001216	110.0
[M]+	41.026001	95.9
[M]-	41.027099	95.9

Literature stripe

literature stripe

Patent stripe

patents stripe