CID 92736

105-33-9

Structural Information

Molecular Formula
C4H6ClNO
SMILES
C(C#N)C(CCl)O
InChI
InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2
InChIKey
LHBPNZDUNCZWFL-UHFFFAOYSA-N
Compound name
4-chloro-3-hydroxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

355
Patents

119.013794 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02107 118.4
[M+Na]+ 142.00301 129.1
[M+NH4]+ 137.04762 123.5
[M+K]+ 157.97695 121.1
[M-H]- 118.00652 110.8
[M+Na-2H]- 139.98846 120.7
[M]+ 119.01325 117.0
[M]- 119.01434 117.0
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