CID 49768186

(3s,4s)-1-benzylpiperidine-3,4-diol

Structural Information

Molecular Formula
C12H17NO2
SMILES
C1CN(C[C@@H]([C@H]1O)O)CC2=CC=CC=C2
InChI
InChI=1S/C12H17NO2/c14-11-6-7-13(9-12(11)15)8-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12-/m0/s1
InChIKey
WTBCFVLWEBBCMJ-RYUDHWBXSA-N
Compound name
(3S,4S)-1-benzylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.1
[M+Na]+ 230.11515 152.5
[M-H]- 206.11865 149.2
[M+NH4]+ 225.15975 163.2
[M+K]+ 246.08909 148.8
[M+H-H2O]+ 190.12319 139.9
[M+HCOO]- 252.12413 164.0
[M+CH3COO]- 266.13978 180.9
[M+Na-2H]- 228.10060 150.9
[M]+ 207.12538 141.7
[M]- 207.12648 141.7
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.