CID 13243866

1-(2-hydroxyethyl)piperazin-2-one hydrochloride

Structural Information

Molecular Formula
C6H12N2O2
SMILES
C1CN(C(=O)CN1)CCO
InChI
InChI=1S/C6H12N2O2/c9-4-3-8-2-1-7-5-6(8)10/h7,9H,1-5H2
InChIKey
BWKWNLMXXRCEPL-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

144.08987 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 131.6
[M+Na]+ 167.079088 137.5
[M-H]- 143.082594 129.1
[M+NH4]+ 162.123693 148.8
[M+K]+ 183.053028 135.4
[M+H-H2O]+ 127.087130 125.1
[M+HCOO]- 189.088071 147.8
[M+CH3COO]- 203.103721 167.8
[M+Na-2H]- 165.064536 136.6
[M]+ 144.08932142 126.0
[M]- 144.09041858 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe