CID 54594520

Methyl 3-chloro-2-hydroxy-2-methylpropanoate

Structural Information

Molecular Formula
C5H9ClO3
SMILES
CC(CCl)(C(=O)OC)O
InChI
InChI=1S/C5H9ClO3/c1-5(8,3-6)4(7)9-2/h8H,3H2,1-2H3
InChIKey
BDSVDNFVTBADFO-UHFFFAOYSA-N
Compound name
methyl 3-chloro-2-hydroxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.02402 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03130 127.1
[M+Na]+ 175.01324 135.7
[M-H]- 151.01674 126.6
[M+NH4]+ 170.05784 148.7
[M+K]+ 190.98718 134.2
[M+H-H2O]+ 135.02128 124.6
[M+HCOO]- 197.02222 143.7
[M+CH3COO]- 211.03787 170.8
[M+Na-2H]- 172.99869 133.4
[M]+ 152.02347 130.4
[M]- 152.02457 130.4
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

No patent data available for this compound.