CID 88833

21236-74-8

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CC1=CC(=C(C=C1)O)CN2CCCCC2

InChI

InChI=1S/C13H19NO/c1-11-5-6-13(15)12(9-11)10-14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8,10H2,1H3

InChIKey

SMZFAZCVXCKGAC-UHFFFAOYSA-N

Compound name

4-methyl-2-(piperidin-1-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 205.14667 Da
Monoisotopic Mass: 2.0
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]+	206.15395	147.9
[M+Na]+	228.13589	153.3
[M-H]-	204.13939	151.2
[M+NH4]+	223.18049	164.9
[M+K]+	244.10983	149.8
[M+H-H2O]+	188.14393	140.4
[M+HCOO]-	250.14487	165.8
[M+CH3COO]-	264.16052	184.3
[M+Na-2H]-	226.12134	151.7
[M]+	205.14612	143.2
[M]-	205.14722	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe