CID 115013816

2-(2,6-dioxopiperidin-3-yl)acetic acid

Structural Information

Molecular Formula
C7H9NO4
SMILES
C1CC(=O)NC(=O)C1CC(=O)O
InChI
InChI=1S/C7H9NO4/c9-5-2-1-4(3-6(10)11)7(12)8-5/h4H,1-3H2,(H,10,11)(H,8,9,12)
InChIKey
ODNHMNRAYLJHOH-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

171.05316 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 133.4
[M+Na]+ 194.04238 140.0
[M-H]- 170.04588 132.7
[M+NH4]+ 189.08698 150.8
[M+K]+ 210.01632 138.1
[M+H-H2O]+ 154.05042 127.8
[M+HCOO]- 216.05136 150.3
[M+CH3COO]- 230.06701 172.8
[M+Na-2H]- 192.02783 136.2
[M]+ 171.05261 128.9
[M]- 171.05371 128.9
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