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

1
Patents

177.96294 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 128.5
[M+Na]+ 200.95216 126.2
[M+NH4]+ 195.99676 129.7
[M+K]+ 216.92610 129.4
[M-H]- 176.95566 125.2
[M+Na-2H]- 198.93761 127.9
[M]+ 177.96239 124.8
[M]- 177.96349 124.8
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