CID 43803533

490027-02-6

Structural Information

Molecular Formula
C12H14BrNO2
SMILES
C1CCN(C1)C(C2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C12H14BrNO2/c13-10-5-3-9(4-6-10)11(12(15)16)14-7-1-2-8-14/h3-6,11H,1-2,7-8H2,(H,15,16)
InChIKey
SQCJVKGBEMXJGU-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-2-pyrrolidin-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.02078 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02806 158.9
[M+Na]+ 306.01000 159.9
[M+NH4]+ 301.05460 162.7
[M+K]+ 321.98394 162.2
[M-H]- 282.01350 159.0
[M+Na-2H]- 303.99545 160.7
[M]+ 283.02023 157.6
[M]- 283.02133 157.6
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.