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]+ 201.12337 145.7
[M+Na]+ 223.10531 150.6
[M-H]- 199.10881 144.3
[M+NH4]+ 218.14991 161.2
[M+K]+ 239.07925 149.5
[M+H-H2O]+ 183.11335 138.6
[M+HCOO]- 245.11429 160.8
[M+CH3COO]- 259.12994 181.8
[M+Na-2H]- 221.09076 147.3
[M]+ 200.11554 142.4
[M]- 200.11664 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