CID 53408734

1236254-75-3

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CCCN1CCNC(=O)C1CC(=O)O
InChI
InChI=1S/C9H16N2O3/c1-2-4-11-5-3-10-9(14)7(11)6-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKey
UHIUOVAGCSAWNW-UHFFFAOYSA-N
Compound name
2-(3-oxo-1-propylpiperazin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.11609 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 146.2
[M+Na]+ 223.105308 151.7
[M-H]- 199.108814 143.6
[M+NH4]+ 218.149913 161.2
[M+K]+ 239.079248 149.3
[M+H-H2O]+ 183.113350 139.4
[M+HCOO]- 245.114291 160.7
[M+CH3COO]- 259.129941 180.3
[M+Na-2H]- 221.090756 147.7
[M]+ 200.11554142 142.1
[M]- 200.11663858 142.1
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

No patent data available for this compound.