CID 4739629

1-acetyl-4-(2-hydroxyethyl)piperazine

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CC(=O)N1CCN(CC1)CCO
InChI
InChI=1S/C8H16N2O2/c1-8(12)10-4-2-9(3-5-10)6-7-11/h11H,2-7H2,1H3
InChIKey
MRGOMLFEVPNISR-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

459
Patents

172.12119 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 140.1
[M+Na]+ 195.11041 145.4
[M-H]- 171.11391 138.8
[M+NH4]+ 190.15501 156.9
[M+K]+ 211.08435 144.2
[M+H-H2O]+ 155.11845 133.1
[M+HCOO]- 217.11939 156.1
[M+CH3COO]- 231.13504 176.6
[M+Na-2H]- 193.09586 143.3
[M]+ 172.12064 136.3
[M]- 172.12174 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe