CID 14747409

(1-methylpiperazin-2-yl)methanol dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CN1CCNCC1CO

InChI

InChI=1S/C6H14N2O/c1-8-3-2-7-4-6(8)5-9/h6-7,9H,2-5H2,1H3

InChIKey

ZBIWOALTDQQQTG-UHFFFAOYSA-N

Compound name

(1-methylpiperazin-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 287
Patents: 130.11061 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]+	131.11789	130.1
[M+Na]+	153.09983	135.8
[M-H]-	129.10333	127.6
[M+NH4]+	148.14443	148.1
[M+K]+	169.07377	133.9
[M+H-H2O]+	113.10787	123.7
[M+HCOO]-	175.10881	145.9
[M+CH3COO]-	189.12446	166.6
[M+Na-2H]-	151.08528	135.1
[M]+	130.11006	123.7
[M]-	130.11116	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe