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
5
Annotation Hits

53
References

18843
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 109.2
[M+Na]+ 90.031418 119.4
[M-H]- 66.034924 110.6
[M+NH4]+ 85.076023 131.7
[M+K]+ 106.005358 118.9
[M+H-H2O]+ 50.039460 99.0
[M+HCOO]- 112.040401 130.4
[M+CH3COO]- 126.056051 175.2
[M+Na-2H]- 88.016866 117.4
[M]+ 67.04165142 104.3
[M]- 67.04274858 104.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.