CID 95357

3-chloro-2-methylpropane-1,2-diol

Structural Information

Molecular Formula
C4H9ClO2
SMILES
CC(CO)(CCl)O
InChI
InChI=1S/C4H9ClO2/c1-4(7,2-5)3-6/h6-7H,2-3H2,1H3
InChIKey
AVVXLRRTQZKHSP-UHFFFAOYSA-N
Compound name
3-chloro-2-methylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

124.029106 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.03638 121.2
[M+Na]+ 147.01832 131.6
[M+NH4]+ 142.06293 129.1
[M+K]+ 162.99226 127.3
[M-H]- 123.02183 119.3
[M+Na-2H]- 145.00377 124.9
[M]+ 124.02856 122.3
[M]- 124.02965 122.3
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