CID 21540882

3-bromocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C5H7BrO2
SMILES
C1C(CC1Br)C(=O)O
InChI
InChI=1S/C5H7BrO2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2H2,(H,7,8)
InChIKey
AZXXMCROALAIRS-UHFFFAOYSA-N
Compound name
3-bromocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

177.96294 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.970216 121.3
[M+Na]+ 200.952158 130.9
[M-H]- 176.955664 126.3
[M+NH4]+ 195.996763 138.1
[M+K]+ 216.926098 124.3
[M+H-H2O]+ 160.960200 117.7
[M+HCOO]- 222.961141 139.7
[M+CH3COO]- 236.976791 179.0
[M+Na-2H]- 198.937606 127.8
[M]+ 177.96239142 145.4
[M]- 177.96348858 145.4
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

patents stripe