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
6
Annotation Hits

56
References

15774
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 112.5
[M+Na]+ 90.031418 123.4
[M+NH4]+ 85.076023 117.9
[M+K]+ 106.00536 115.1
[M-H]- 66.034924 105.6
[M+Na-2H]- 88.016866 115.3
[M]+ 67.041651 111.1
[M]- 67.042749 111.1
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