CID 6342

Acetonitrile

Structural Information

Molecular Formula
C2H3N
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
7
Annotation Hits

18792
References

217476
Patents

41.02655 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 42.033826 104.0
[M+Na]+ 64.015768 115.5
[M+NH4]+ 59.060373 110.1
[M+K]+ 79.989708 107.1
[M-H]- 40.019274 97.6
[M+Na-2H]- 62.001216 107.8
[M]+ 41.026001 103.0
[M]- 41.027099 103.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe