CID 2724476

N-(2-nitrophenyl)piperidin-4-amine

Structural Information

Molecular Formula
C11H15N3O2
SMILES
C1CNCCC1NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O2/c15-14(16)11-4-2-1-3-10(11)13-9-5-7-12-8-6-9/h1-4,9,12-13H,5-8H2
InChIKey
JFDLNTWOJUPVTD-UHFFFAOYSA-N
Compound name
N-(2-nitrophenyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

221.11642 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.123696 146.1
[M+Na]+ 244.105638 149.0
[M-H]- 220.109144 149.1
[M+NH4]+ 239.150243 160.5
[M+K]+ 260.079578 141.6
[M+H-H2O]+ 204.113680 142.6
[M+HCOO]- 266.114621 166.5
[M+CH3COO]- 280.130271 181.3
[M+Na-2H]- 242.091086 153.4
[M]+ 221.11587142 137.0
[M]- 221.11696858 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe