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

14
Patents

268.02112 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.02840 154.9
[M+Na]+ 291.01034 163.4
[M-H]- 267.01384 161.0
[M+NH4]+ 286.05494 174.1
[M+K]+ 306.98428 151.5
[M+H-H2O]+ 251.01838 153.5
[M+HCOO]- 313.01932 173.5
[M+CH3COO]- 327.03497 190.9
[M+Na-2H]- 288.99579 158.9
[M]+ 268.02057 168.1
[M]- 268.02167 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