CID 425418

Nsc173984

Structural Information

Molecular Formula
C8H8NO3
SMILES
C1C([N+]12C=CC=CC2=O)C(=O)O
InChI
InChI=1S/C8H7NO3/c10-7-3-1-2-4-9(7)5-6(9)8(11)12/h1-4,6H,5H2/p+1
InChIKey
GOZNZGZTDJPKPG-UHFFFAOYSA-O
Compound name
8-oxo-3-azoniaspiro[2.5]octa-4,6-diene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.05042 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05770 128.3
[M+Na]+ 189.03964 138.9
[M-H]- 165.04314 133.2
[M+NH4]+ 184.08424 144.3
[M+K]+ 205.01358 131.2
[M+H-H2O]+ 149.04768 125.8
[M+HCOO]- 211.04862 148.7
[M+CH3COO]- 225.06427 170.2
[M+Na-2H]- 187.02509 138.3
[M]+ 166.04987 128.2
[M]- 166.05097 128.2
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

No patent data available for this compound.