CID 21252255

2-(2,6-dioxopiperidin-1-yl)acetic acid

Structural Information

Molecular Formula
C7H9NO4
SMILES
C1CC(=O)N(C(=O)C1)CC(=O)O
InChI
InChI=1S/C7H9NO4/c9-5-2-1-3-6(10)8(5)4-7(11)12/h1-4H2,(H,11,12)
InChIKey
NQSJKTIGAIAJHV-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

171.05316 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 132.3
[M+Na]+ 194.04238 139.3
[M-H]- 170.04588 133.0
[M+NH4]+ 189.08698 150.5
[M+K]+ 210.01632 138.3
[M+H-H2O]+ 154.05042 126.5
[M+HCOO]- 216.05136 150.8
[M+CH3COO]- 230.06701 175.2
[M+Na-2H]- 192.02783 135.7
[M]+ 171.05261 129.7
[M]- 171.05371 129.7
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