CID 83663181

1502179-62-5

Structural Information

Molecular Formula
C12H13BrO2
SMILES
C1C(CC1C(=O)O)CC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H13BrO2/c13-11-3-1-8(2-4-11)5-9-6-10(7-9)12(14)15/h1-4,9-10H,5-7H2,(H,14,15)
InChIKey
GMWZMJIEANLADL-UHFFFAOYSA-N
Compound name
3-[(4-bromophenyl)methyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0099 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.01718 149.3
[M+Na]+ 290.99912 148.6
[M+NH4]+ 286.04372 150.6
[M+K]+ 306.97306 150.2
[M-H]- 267.00262 148.2
[M+Na-2H]- 288.98457 150.5
[M]+ 268.00935 146.7
[M]- 268.01045 146.7
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.