CID 20913

2-butenenitrile

Structural Information

Molecular Formula
C4H5N
SMILES
CC=CC#N
InChI
InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3
InChIKey
NKKMVIVFRUYPLQ-UHFFFAOYSA-N
Compound name
but-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

53
References

18873
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]+ 106.00536 118.9
[M+H-H2O]+ 50.039460 99.0
[M+HCOO]- 112.04040 130.4
[M+CH3COO]- 126.05605 175.2
[M+Na-2H]- 88.016866 117.4
[M]+ 67.041651 104.3
[M]- 67.042749 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

literature stripe

Patent stripe

patents stripe