CID 637921

Crotononitrile

Structural Information

Molecular Formula
C4H5N
SMILES
C/C=C/C#N
InChI
InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+
InChIKey
NKKMVIVFRUYPLQ-NSCUHMNNSA-N
Compound name
(E)-but-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

53
References

9074
Patents

67.0422 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 68.049476 112.4
[M+Na]+ 90.031418 123.6
[M+NH4]+ 85.076023 117.9
[M+K]+ 106.00536 114.6
[M-H]- 66.034924 105.7
[M+Na-2H]- 88.016866 115.6
[M]+ 67.041651 111.2
[M]- 67.042749 111.2
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