CID 53621902

(3-amino-1-benzylpiperidin-4-yl)methanol

Structural Information

Molecular Formula
C13H20N2O
SMILES
C1CN(CC(C1CO)N)CC2=CC=CC=C2
InChI
InChI=1S/C13H20N2O/c14-13-9-15(7-6-12(13)10-16)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2
InChIKey
QETCDVMSZOJWMB-UHFFFAOYSA-N
Compound name
(3-amino-1-benzylpiperidin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.15756 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 152.1
[M+Na]+ 243.146778 156.6
[M-H]- 219.150284 154.8
[M+NH4]+ 238.191383 167.8
[M+K]+ 259.120718 152.6
[M+H-H2O]+ 203.154820 144.2
[M+HCOO]- 265.155761 170.3
[M+CH3COO]- 279.171411 188.7
[M+Na-2H]- 241.132226 155.2
[M]+ 220.15701142 145.7
[M]- 220.15810858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.