CID 18071633

N-(3-bromophenyl)piperidine-4-carboxamide

Structural Information

Molecular Formula
C12H15BrN2O
SMILES
C1CNCCC1C(=O)NC2=CC(=CC=C2)Br
InChI
InChI=1S/C12H15BrN2O/c13-10-2-1-3-11(8-10)15-12(16)9-4-6-14-7-5-9/h1-3,8-9,14H,4-7H2,(H,15,16)
InChIKey
PNZFKESQFYGSLC-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.03677 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04405 157.0
[M+Na]+ 305.02599 163.9
[M-H]- 281.02949 162.4
[M+NH4]+ 300.07059 173.7
[M+K]+ 320.99993 151.8
[M+H-H2O]+ 265.03403 155.3
[M+HCOO]- 327.03497 173.1
[M+CH3COO]- 341.05062 194.2
[M+Na-2H]- 303.01144 162.0
[M]+ 282.03622 168.5
[M]- 282.03732 168.5
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