CID 301573

1-bromocyclobutanecarboxylic acid

Structural Information

Molecular Formula
C5H7BrO2
SMILES
C1CC(C1)(C(=O)O)Br
InChI
InChI=1S/C5H7BrO2/c6-5(4(7)8)2-1-3-5/h1-3H2,(H,7,8)
InChIKey
YREQYUFYDFSXJC-UHFFFAOYSA-N
Compound name
1-bromocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

177.96294 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 121.7
[M+Na]+ 200.95216 131.4
[M-H]- 176.95566 126.9
[M+NH4]+ 195.99676 140.2
[M+K]+ 216.92610 124.8
[M+H-H2O]+ 160.96020 119.5
[M+HCOO]- 222.96114 140.2
[M+CH3COO]- 236.97679 177.6
[M+Na-2H]- 198.93761 130.0
[M]+ 177.96239 146.0
[M]- 177.96349 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe