CID 6480488

Chembl458641

Structural Information

Molecular Formula
C8H16N2O3
SMILES
C1CN(CCN1CCO)C(=O)CO
InChI
InChI=1S/C8H16N2O3/c11-6-5-9-1-3-10(4-2-9)8(13)7-12/h11-12H,1-7H2
InChIKey
MLGKBQAGZVEOFZ-UHFFFAOYSA-N
Compound name
2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

188.11609 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12337 143.5
[M+Na]+ 211.10531 148.3
[M-H]- 187.10881 140.7
[M+NH4]+ 206.14991 158.9
[M+K]+ 227.07925 146.7
[M+H-H2O]+ 171.11335 136.5
[M+HCOO]- 233.11429 158.2
[M+CH3COO]- 247.12994 176.2
[M+Na-2H]- 209.09076 146.3
[M]+ 188.11554 139.3
[M]- 188.11664 139.3
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.