CID 14728567

6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O4
SMILES
C1C(CC12C(=O)NC(=O)N2)C(=O)O
InChI
InChI=1S/C7H8N2O4/c10-4(11)3-1-7(2-3)5(12)8-6(13)9-7/h3H,1-2H2,(H,10,11)(H2,8,9,12,13)
InChIKey
VAXRLMKVUWPROQ-UHFFFAOYSA-N
Compound name
6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

184.0484 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.055676 137.5
[M+Na]+ 207.037618 143.5
[M-H]- 183.041124 136.8
[M+NH4]+ 202.082223 149.8
[M+K]+ 223.011558 143.7
[M+H-H2O]+ 167.045660 127.7
[M+HCOO]- 229.046601 151.8
[M+CH3COO]- 243.062251 174.8
[M+Na-2H]- 205.023066 139.5
[M]+ 184.04785142 140.6
[M]- 184.04894858 140.6
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