CID 14747410

1177360-33-6

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

C1CN(CCN1)CC2=CC=CC=C2O

InChI

InChI=1S/C11H16N2O/c14-11-4-2-1-3-10(11)9-13-7-5-12-6-8-13/h1-4,12,14H,5-9H2

InChIKey

GQRQDGSWNXOCNK-UHFFFAOYSA-N

Compound name

2-(piperazin-1-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 192.12627 Da
Monoisotopic Mass: 0.2
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]+	193.13355	144.4
[M+Na]+	215.11549	149.3
[M-H]-	191.11899	144.7
[M+NH4]+	210.16009	159.3
[M+K]+	231.08943	145.1
[M+H-H2O]+	175.12353	136.2
[M+HCOO]-	237.12447	160.0
[M+CH3COO]-	251.14012	154.6
[M+Na-2H]-	213.10094	149.4
[M]+	192.12572	137.2
[M]-	192.12682	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe