CID 6218930

Schembl7904054

Structural Information

Molecular Formula
C4H5NO
SMILES
C/C(=C\C#N)/O
InChI
InChI=1S/C4H5NO/c1-4(6)2-3-5/h2,6H,1H3/b4-2+
InChIKey
XFBANCCFILWXGD-DUXPYHPUSA-N
Compound name
(E)-3-hydroxybut-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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 114.8
[M+Na]+ 106.026338 124.4
[M-H]- 82.029844 114.9
[M+NH4]+ 101.070943 135.9
[M+K]+ 122.000278 123.8
[M+H-H2O]+ 66.034380 104.6
[M+HCOO]- 128.035321 134.0
[M+CH3COO]- 142.050971 175.2
[M+Na-2H]- 104.011786 121.1
[M]+ 83.03657142 108.7
[M]- 83.03766858 108.7
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

patents stripe