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

26
Patents

158.10553 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.112806 136.5
[M+Na]+ 181.094748 141.9
[M-H]- 157.098254 134.0
[M+NH4]+ 176.139353 153.2
[M+K]+ 197.068688 140.0
[M+H-H2O]+ 141.102790 130.0
[M+HCOO]- 203.103731 151.4
[M+CH3COO]- 217.119381 171.1
[M+Na-2H]- 179.080196 139.8
[M]+ 158.10498142 130.5
[M]- 158.10607858 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