CID 118087185

1-(chloromethyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H9ClO2
SMILES
C1CC(C1)(CCl)C(=O)O
InChI
InChI=1S/C6H9ClO2/c7-4-6(5(8)9)2-1-3-6/h1-4H2,(H,8,9)
InChIKey
QCPXASOTOQBZIB-UHFFFAOYSA-N
Compound name
1-(chloromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

148.02911 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03639 124.4
[M+Na]+ 171.01833 131.4
[M-H]- 147.02183 126.8
[M+NH4]+ 166.06293 141.3
[M+K]+ 186.99227 131.7
[M+H-H2O]+ 131.02637 117.3
[M+HCOO]- 193.02731 140.5
[M+CH3COO]- 207.04296 173.5
[M+Na-2H]- 169.00378 130.5
[M]+ 148.02856 133.2
[M]- 148.02966 133.2
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