CID 84021118

3-(2-hydroxyethyl)-1-methylpiperazin-2-one

Structural Information

Molecular Formula
C7H14N2O2
SMILES
CN1CCNC(C1=O)CCO
InChI
InChI=1S/C7H14N2O2/c1-9-4-3-8-6(2-5-10)7(9)11/h6,8,10H,2-5H2,1H3
InChIKey
DJWRRUMPQDQNQZ-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-1-methylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.10553 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11281 136.0
[M+Na]+ 181.09475 142.5
[M-H]- 157.09825 133.7
[M+NH4]+ 176.13935 153.0
[M+K]+ 197.06869 140.1
[M+H-H2O]+ 141.10279 129.6
[M+HCOO]- 203.10373 151.8
[M+CH3COO]- 217.11938 172.0
[M+Na-2H]- 179.08020 139.7
[M]+ 158.10498 131.1
[M]- 158.10608 131.1
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.