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
1
Annotation Hits

0
References

79
Patents

104.99814 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.00542 115.7
[M+Na]+ 127.98736 126.2
[M-H]- 103.99086 115.8
[M+NH4]+ 123.03196 136.8
[M+K]+ 143.96130 124.3
[M+H-H2O]+ 87.995400 106.5
[M+HCOO]- 149.99634 131.0
[M+CH3COO]- 164.01199 177.5
[M+Na-2H]- 125.97281 122.3
[M]+ 104.99759 111.6
[M]- 104.99869 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