CID 558730

2-(piperidine-1-carbonyl)aniline

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1CCN(CC1)C(=O)C2=CC=CC=C2N
InChI
InChI=1S/C12H16N2O/c13-11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9,13H2
InChIKey
YJTQPHOSNYIGPC-UHFFFAOYSA-N
Compound name
(2-aminophenyl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

204.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 146.6
[M+Na]+ 227.11549 151.2
[M-H]- 203.11899 150.6
[M+NH4]+ 222.16009 163.2
[M+K]+ 243.08943 148.2
[M+H-H2O]+ 187.12353 138.6
[M+HCOO]- 249.12447 165.9
[M+CH3COO]- 263.14012 186.4
[M+Na-2H]- 225.10094 150.2
[M]+ 204.12572 139.9
[M]- 204.12682 139.9
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