CID 19896754

1-[3-(hydroxymethyl)piperazin-1-yl]ethan-1-one hydrochloride

Structural Information

Molecular Formula
C7H14N2O2
SMILES
CC(=O)N1CCNC(C1)CO
InChI
InChI=1S/C7H14N2O2/c1-6(11)9-3-2-8-7(4-9)5-10/h7-8,10H,2-5H2,1H3
InChIKey
DGUZPMRLCVSJPU-UHFFFAOYSA-N
Compound name
1-[3-(hydroxymethyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

158.10553 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11281 136.5
[M+Na]+ 181.09475 141.9
[M-H]- 157.09825 134.0
[M+NH4]+ 176.13935 153.2
[M+K]+ 197.06869 140.0
[M+H-H2O]+ 141.10279 130.0
[M+HCOO]- 203.10373 151.4
[M+CH3COO]- 217.11938 171.1
[M+Na-2H]- 179.08020 139.8
[M]+ 158.10498 130.5
[M]- 158.10608 130.5
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