CID 94451

3-chloro-2-hydroxypropanenitrile

Structural Information

Molecular Formula
C3H4ClNO
SMILES
C(C(C#N)O)Cl
InChI
InChI=1S/C3H4ClNO/c4-1-3(6)2-5/h3,6H,1H2
InChIKey
RDXMEUDCEWSFDP-UHFFFAOYSA-N
Compound name
3-chloro-2-hydroxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
Patents

104.99814 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.005416 115.7
[M+Na]+ 127.987358 126.2
[M-H]- 103.990864 115.8
[M+NH4]+ 123.031963 136.8
[M+K]+ 143.961298 124.3
[M+H-H2O]+ 87.995400 106.5
[M+HCOO]- 149.996341 131.0
[M+CH3COO]- 164.011991 177.5
[M+Na-2H]- 125.972806 122.3
[M]+ 104.99759142 111.6
[M]- 104.99868858 111.6
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