CID 13881929

64507-20-6

Structural Information

Molecular Formula
C6H9ClO3
SMILES
CC(C)(C(=O)OC)C(=O)Cl
InChI
InChI=1S/C6H9ClO3/c1-6(2,4(7)8)5(9)10-3/h1-3H3
InChIKey
YHZPQWZDBDVTIT-UHFFFAOYSA-N
Compound name
methyl 3-chloro-2,2-dimethyl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

164.02402 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03130 128.7
[M+Na]+ 187.01324 137.4
[M-H]- 163.01674 129.6
[M+NH4]+ 182.05784 150.5
[M+K]+ 202.98718 136.5
[M+H-H2O]+ 147.02128 126.0
[M+HCOO]- 209.02222 145.8
[M+CH3COO]- 223.03787 176.4
[M+Na-2H]- 184.99869 134.0
[M]+ 164.02347 133.1
[M]- 164.02457 133.1
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