CID 13460159

2-hydroxy-1-(piperazin-1-yl)propan-1-one

Structural Information

Molecular Formula
C7H14N2O2
SMILES
CC(C(=O)N1CCNCC1)O
InChI
InChI=1S/C7H14N2O2/c1-6(10)7(11)9-4-2-8-3-5-9/h6,8,10H,2-5H2,1H3
InChIKey
JQRBBKFUEZDIRG-UHFFFAOYSA-N
Compound name
2-hydroxy-1-piperazin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
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 136.7
[M+Na]+ 181.09475 140.8
[M-H]- 157.09825 133.9
[M+NH4]+ 176.13935 153.0
[M+K]+ 197.06869 139.5
[M+H-H2O]+ 141.10279 130.0
[M+HCOO]- 203.10373 150.6
[M+CH3COO]- 217.11938 170.8
[M+Na-2H]- 179.08020 139.5
[M]+ 158.10498 129.7
[M]- 158.10608 129.7
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

patents stripe