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

22
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 121.3
[M+Na]+ 200.95216 130.9
[M-H]- 176.95566 126.3
[M+NH4]+ 195.99676 138.1
[M+K]+ 216.92610 124.3
[M+H-H2O]+ 160.96020 117.7
[M+HCOO]- 222.96114 139.7
[M+CH3COO]- 236.97679 179.0
[M+Na-2H]- 198.93761 127.8
[M]+ 177.96239 145.4
[M]- 177.96349 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