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

14
Patents

218.1419 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 151.1
[M+Na]+ 241.13112 155.2
[M-H]- 217.13462 154.9
[M+NH4]+ 236.17572 167.2
[M+K]+ 257.10506 152.0
[M+H-H2O]+ 201.13916 142.9
[M+HCOO]- 263.14010 170.1
[M+CH3COO]- 277.15575 189.4
[M+Na-2H]- 239.11657 154.2
[M]+ 218.14135 144.8
[M]- 218.14245 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