CID 234331

(2,6-dioxo-piperidin-4-yl)-acetic acid

Structural Information

Molecular Formula
C7H9NO4
SMILES
C1C(CC(=O)NC1=O)CC(=O)O
InChI
InChI=1S/C7H9NO4/c9-5-1-4(3-7(11)12)2-6(10)8-5/h4H,1-3H2,(H,11,12)(H,8,9,10)
InChIKey
MLOIZNBOQITCOX-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

171.05316 Da
Monoisotopic Mass

-1.3
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

literature stripe

Patent stripe

patents stripe