CID 131382838

2378502-10-2

Structural Information

Molecular Formula
C12H14BrNO2
SMILES
COC(=O)C1(CCNC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H14BrNO2/c1-16-11(15)12(6-7-14-8-12)9-2-4-10(13)5-3-9/h2-5,14H,6-8H2,1H3
InChIKey
NBSUUYLAPIUZDI-UHFFFAOYSA-N
Compound name
methyl 3-(4-bromophenyl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.02078 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02806 160.9
[M+Na]+ 306.01000 162.3
[M+NH4]+ 301.05460 166.1
[M+K]+ 321.98394 162.3
[M-H]- 282.01350 161.2
[M+Na-2H]- 303.99545 164.3
[M]+ 283.02023 159.9
[M]- 283.02133 159.9
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.