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

97
Patents

158.10553 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.112806 136.7
[M+Na]+ 181.094748 140.8
[M-H]- 157.098254 133.9
[M+NH4]+ 176.139353 153.0
[M+K]+ 197.068688 139.5
[M+H-H2O]+ 141.102790 130.0
[M+HCOO]- 203.103731 150.6
[M+CH3COO]- 217.119381 170.8
[M+Na-2H]- 179.080196 139.5
[M]+ 158.10498142 129.7
[M]- 158.10607858 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