CID 55300708

(2-methylpiperazin-2-yl)methanol dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CC1(CNCCN1)CO

InChI

InChI=1S/C6H14N2O/c1-6(5-9)4-7-2-3-8-6/h7-9H,2-5H2,1H3

InChIKey

DOWJIZZVRMQDEW-UHFFFAOYSA-N

Compound name

(2-methylpiperazin-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 130.11061 Da
Monoisotopic Mass: -1.3
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]+	131.117886	130.9
[M+Na]+	153.099828	136.2
[M-H]-	129.103334	127.0
[M+NH4]+	148.144433	149.9
[M+K]+	169.073768	133.6
[M+H-H2O]+	113.107870	125.4
[M+HCOO]-	175.108811	145.2
[M+CH3COO]-	189.124461	162.5
[M+Na-2H]-	151.085276	137.2
[M]+	130.11006142	122.6
[M]-	130.11115858	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe