CID 22060

2-hydroxybut-3-enenitrile

Structural Information

Molecular Formula
C4H5NO
SMILES
C=CC(C#N)O
InChI
InChI=1S/C4H5NO/c1-2-4(6)3-5/h2,4,6H,1H2
InChIKey
WKFMHXZXCCJSJK-UHFFFAOYSA-N
Compound name
2-hydroxybut-3-enenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

66
Patents

83.03712 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.044396 115.8
[M+Na]+ 106.02634 125.8
[M+NH4]+ 101.07094 120.3
[M+K]+ 122.00028 118.2
[M-H]- 82.029844 107.9
[M+Na-2H]- 104.01179 117.6
[M]+ 83.036571 113.9
[M]- 83.037669 113.9
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