CID 84048265

3-(hydroxymethyl)-1-methylpiperazin-2-one hydrochloride

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CN1CCNC(C1=O)CO
InChI
InChI=1S/C6H12N2O2/c1-8-3-2-7-5(4-9)6(8)10/h5,7,9H,2-4H2,1H3
InChIKey
YXNUSEWANCQVMM-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-1-methylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.08987 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 131.1
[M+Na]+ 167.07909 141.2
[M+NH4]+ 162.12369 137.8
[M+K]+ 183.05303 136.8
[M-H]- 143.08259 130.1
[M+Na-2H]- 165.06454 134.2
[M]+ 144.08932 131.8
[M]- 144.09042 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.