CID 53308460

3-(bromomethyl)cyclobutanecarboxylic acid

Structural Information

Molecular Formula
C6H9BrO2
SMILES
C1C(CC1C(=O)O)CBr
InChI
InChI=1S/C6H9BrO2/c7-3-4-1-5(2-4)6(8)9/h4-5H,1-3H2,(H,8,9)
InChIKey
RKXSTQZHSQTEJW-UHFFFAOYSA-N
Compound name
3-(bromomethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.97859 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 126.0
[M+Na]+ 214.96781 135.2
[M-H]- 190.97131 130.9
[M+NH4]+ 210.01241 142.3
[M+K]+ 230.94175 128.3
[M+H-H2O]+ 174.97585 122.2
[M+HCOO]- 236.97679 144.1
[M+CH3COO]- 250.99244 181.8
[M+Na-2H]- 212.95326 131.9
[M]+ 191.97804 150.4
[M]- 191.97914 150.4
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

No patent data available for this compound.