CID 2735486

85387-43-5

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

C1CCN(C(C1)CO)CC2=CC=CC=C2

InChI

InChI=1S/C13H19NO/c15-11-13-8-4-5-9-14(13)10-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2

InChIKey

KHPWHJVKPZIZRG-UHFFFAOYSA-N

Compound name

(1-benzylpiperidin-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
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	148.0
[M+Na]+	228.13589	152.4
[M-H]-	204.13939	150.8
[M+NH4]+	223.18049	164.6
[M+K]+	244.10983	148.9
[M+H-H2O]+	188.14393	140.2
[M+HCOO]-	250.14487	165.8
[M+CH3COO]-	264.16052	183.2
[M+Na-2H]-	226.12134	152.4
[M]+	205.14612	142.8
[M]-	205.14722	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe