CID 2050699

3-(4-acetylpiperazin-1-yl)propanoic acid

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CC(=O)N1CCN(CC1)CCC(=O)O
InChI
InChI=1S/C9H16N2O3/c1-8(12)11-6-4-10(5-7-11)3-2-9(13)14/h2-7H2,1H3,(H,13,14)
InChIKey
PQMOJMGTJRRLHL-UHFFFAOYSA-N
Compound name
3-(4-acetylpiperazin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.11609 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 145.7
[M+Na]+ 223.105308 150.6
[M-H]- 199.108814 144.3
[M+NH4]+ 218.149913 161.2
[M+K]+ 239.079248 149.5
[M+H-H2O]+ 183.113350 138.6
[M+HCOO]- 245.114291 160.8
[M+CH3COO]- 259.129941 181.8
[M+Na-2H]- 221.090756 147.3
[M]+ 200.11554142 142.4
[M]- 200.11663858 142.4
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