CID 59978001

1807937-67-2

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CNC[C@H]([C@H]1C2=CC=CC=C2)CO

InChI

InChI=1S/C12H17NO/c14-9-11-8-13-7-6-12(11)10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12+/m0/s1

InChIKey

CCYONUQTZTYVFP-NWDGAFQWSA-N

Compound name

[(3S,4S)-4-phenylpiperidin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.13101 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.13829	144.0
[M+Na]+	214.12023	148.4
[M-H]-	190.12373	145.6
[M+NH4]+	209.16483	160.4
[M+K]+	230.09417	144.2
[M+H-H2O]+	174.12827	136.7
[M+HCOO]-	236.12921	160.6
[M+CH3COO]-	250.14486	177.6
[M+Na-2H]-	212.10568	148.5
[M]+	191.13046	136.6
[M]-	191.13156	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe