CID 2795567

123987-12-2

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CN1CCN(CC1)C2=CC=CC=C2CO

InChI

InChI=1S/C12H18N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,15H,6-10H2,1H3

InChIKey

TWPYBKBPHCMUIS-UHFFFAOYSA-N

Compound name

[2-(4-methylpiperazin-1-yl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 206.1419 Da
Monoisotopic Mass: 1.0
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]+	207.14918	148.5
[M+Na]+	229.13112	154.4
[M-H]-	205.13462	150.4
[M+NH4]+	224.17572	164.0
[M+K]+	245.10506	150.8
[M+H-H2O]+	189.13916	140.1
[M+HCOO]-	251.14010	165.3
[M+CH3COO]-	265.15575	184.1
[M+Na-2H]-	227.11657	152.7
[M]+	206.14135	143.9
[M]-	206.14245	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe