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

13
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 157.3
[M+Na]+ 291.01034 158.1
[M+NH4]+ 286.05494 161.5
[M+K]+ 306.98428 159.7
[M-H]- 267.01384 158.3
[M+Na-2H]- 288.99579 159.7
[M]+ 268.02057 156.2
[M]- 268.02167 156.2
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