CID 211144

Methyl 2-chloro-2-methylpropanoate

Structural Information

Molecular Formula
C5H9ClO2
SMILES
CC(C)(C(=O)OC)Cl
InChI
InChI=1S/C5H9ClO2/c1-5(2,6)4(7)8-3/h1-3H3
InChIKey
GJWBUVKJZQLZNB-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

230
Patents

136.02911 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.036386 123.5
[M+Na]+ 159.018328 132.6
[M-H]- 135.021834 124.4
[M+NH4]+ 154.062933 146.5
[M+K]+ 174.992268 131.6
[M+H-H2O]+ 119.026370 121.0
[M+HCOO]- 181.027311 141.4
[M+CH3COO]- 195.042961 171.6
[M+Na-2H]- 157.003776 130.4
[M]+ 136.02856142 127.3
[M]- 136.02965858 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe