CID 827172

184845-62-3

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC1=CC=CC=C1C2(CCNCC2)O

InChI

InChI=1S/C12H17NO/c1-10-4-2-3-5-11(10)12(14)6-8-13-9-7-12/h2-5,13-14H,6-9H2,1H3

InChIKey

IEMMIKLKEBDQLL-UHFFFAOYSA-N

Compound name

4-(2-methylphenyl)piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 191.13101 Da
Monoisotopic Mass: 1.3
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	144.6
[M+Na]+	214.12023	150.1
[M-H]-	190.12373	146.7
[M+NH4]+	209.16483	163.1
[M+K]+	230.09417	146.1
[M+H-H2O]+	174.12827	137.9
[M+HCOO]-	236.12921	161.3
[M+CH3COO]-	250.14486	177.2
[M+Na-2H]-	212.10568	150.1
[M]+	191.13046	137.6
[M]-	191.13156	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe