CID 7131263

[4-(piperidine-1-carbonyl)phenyl]methanamine

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN
InChI
InChI=1S/C13H18N2O/c14-10-11-4-6-12(7-5-11)13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10,14H2
InChIKey
PTAQOEKCDLOHFQ-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

218.1419 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 151.1
[M+Na]+ 241.131118 155.2
[M-H]- 217.134624 154.9
[M+NH4]+ 236.175723 167.2
[M+K]+ 257.105058 152.0
[M+H-H2O]+ 201.139160 142.9
[M+HCOO]- 263.140101 170.1
[M+CH3COO]- 277.155751 189.4
[M+Na-2H]- 239.116566 154.2
[M]+ 218.14135142 144.8
[M]- 218.14244858 144.8
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