CID 18072705

N-(4-bromophenyl)pyrrolidine-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C11H13BrN2O
SMILES
C1CC(NC1)C(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C11H13BrN2O/c12-8-3-5-9(6-4-8)14-11(15)10-2-1-7-13-10/h3-6,10,13H,1-2,7H2,(H,14,15)
InChIKey
JFKUAGJYOKMVRW-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

268.02112 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.028396 154.9
[M+Na]+ 291.010338 163.4
[M-H]- 267.013844 161.0
[M+NH4]+ 286.054943 174.1
[M+K]+ 306.984278 151.5
[M+H-H2O]+ 251.018380 153.5
[M+HCOO]- 313.019321 173.5
[M+CH3COO]- 327.034971 190.9
[M+Na-2H]- 288.995786 158.9
[M]+ 268.02057142 168.1
[M]- 268.02166858 168.1
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

patents stripe