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

75
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 122.2
[M+Na]+ 147.01832 130.6
[M-H]- 123.02183 120.2
[M+NH4]+ 142.06293 144.2
[M+K]+ 162.99226 128.2
[M+H-H2O]+ 107.02637 120.1
[M+HCOO]- 169.02731 138.1
[M+CH3COO]- 183.04296 164.0
[M+Na-2H]- 145.00377 129.6
[M]+ 124.02856 123.0
[M]- 124.02965 123.0
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