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

1
Patents

184.0484 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 137.5
[M+Na]+ 207.03762 143.5
[M-H]- 183.04112 136.8
[M+NH4]+ 202.08222 149.8
[M+K]+ 223.01156 143.7
[M+H-H2O]+ 167.04566 127.7
[M+HCOO]- 229.04660 151.8
[M+CH3COO]- 243.06225 174.8
[M+Na-2H]- 205.02307 139.5
[M]+ 184.04785 140.6
[M]- 184.04895 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