CID 155215

4-hydroxy-2-methylidenebutanenitrile

Structural Information

Molecular Formula
C5H7NO
SMILES
C=C(CCO)C#N
InChI
InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h7H,1-3H2
InChIKey
UGOMNHQMVBYVEL-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methylidenebutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

97.052765 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 119.8
[M+Na]+ 120.04198 129.6
[M+NH4]+ 115.08659 124.2
[M+K]+ 136.01592 121.8
[M-H]- 96.045489 111.8
[M+Na-2H]- 118.02743 121.3
[M]+ 97.052216 117.8
[M]- 97.053314 117.8
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