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]+ 149.036386 124.4
[M+Na]+ 171.018328 131.4
[M-H]- 147.021834 126.8
[M+NH4]+ 166.062933 141.3
[M+K]+ 186.992268 131.7
[M+H-H2O]+ 131.026370 117.3
[M+HCOO]- 193.027311 140.5
[M+CH3COO]- 207.042961 173.5
[M+Na-2H]- 169.003776 130.5
[M]+ 148.02856142 133.2
[M]- 148.02965858 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