CID 68987

2-chloro-2-methylpropanoic acid

Structural Information

Molecular Formula
C4H7ClO2
SMILES
CC(C)(C(=O)O)Cl
InChI
InChI=1S/C4H7ClO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)
InChIKey
MYCXCBCDXVFXNE-UHFFFAOYSA-N
Compound name
2-chloro-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1390
Patents

122.01346 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.020736 119.5
[M+Na]+ 145.002678 128.4
[M-H]- 121.006184 119.1
[M+NH4]+ 140.047283 142.2
[M+K]+ 160.976618 126.8
[M+H-H2O]+ 105.010720 117.4
[M+HCOO]- 167.011661 136.1
[M+CH3COO]- 181.027311 166.5
[M+Na-2H]- 142.988126 126.3
[M]+ 122.01291142 121.0
[M]- 122.01400858 121.0
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