CID 131382838

Methyl 3-(4-bromophenyl)pyrrolidine-3-carboxylate hydrochloride

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 157.5
[M+Na]+ 306.01000 167.4
[M-H]- 282.01350 164.0
[M+NH4]+ 301.05460 178.5
[M+K]+ 321.98394 156.4
[M+H-H2O]+ 266.01804 157.6
[M+HCOO]- 328.01898 175.2
[M+CH3COO]- 342.03463 190.6
[M+Na-2H]- 303.99545 161.9
[M]+ 283.02023 173.7
[M]- 283.02133 173.7
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.