CID 10421026

4-(aminomethyl)-1-benzylpiperidin-4-ol

Structural Information

Molecular Formula
C13H20N2O
SMILES
C1CN(CCC1(CN)O)CC2=CC=CC=C2
InChI
InChI=1S/C13H20N2O/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12/h1-5,16H,6-11,14H2
InChIKey
IWYHVVSOLJTLRK-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-1-benzylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

220.15756 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 152.2
[M+Na]+ 243.14678 156.8
[M-H]- 219.15028 154.8
[M+NH4]+ 238.19138 169.6
[M+K]+ 259.12072 153.1
[M+H-H2O]+ 203.15482 144.6
[M+HCOO]- 265.15576 170.4
[M+CH3COO]- 279.17141 187.0
[M+Na-2H]- 241.13223 157.0
[M]+ 220.15701 145.7
[M]- 220.15811 145.7
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