CID 31368

Methacrylonitrile

Structural Information

Molecular Formula
C4H5N
SMILES
CC(=C)C#N
InChI
InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3
InChIKey
GYCMBHHDWRMZGG-UHFFFAOYSA-N
Compound name
2-methylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

56
References

26862
Patents

67.0422 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 68.049476 110.2
[M+Na]+ 90.031418 120.1
[M-H]- 66.034924 111.7
[M+NH4]+ 85.076023 132.5
[M+K]+ 106.00536 120.0
[M+H-H2O]+ 50.039460 100.0
[M+HCOO]- 112.04040 130.5
[M+CH3COO]- 126.05605 176.6
[M+Na-2H]- 88.016866 117.2
[M]+ 67.041651 104.7
[M]- 67.042749 104.7
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