CID 8009

3-butenenitrile

Structural Information

Molecular Formula
C4H5N
SMILES
C=CCC#N
InChI
InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2
InChIKey
SJNALLRHIVGIBI-UHFFFAOYSA-N
Compound name
but-3-enenitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

66
References

6403
Patents

67.0422 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 68.049476 112.3
[M+Na]+ 90.031418 123.5
[M+NH4]+ 85.076023 117.8
[M+K]+ 106.00536 114.5
[M-H]- 66.034924 105.6
[M+Na-2H]- 88.016866 115.4
[M]+ 67.041651 111.0
[M]- 67.042749 111.0
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