CID 111637

1h-indole-2,7-dicarboxylic acid

Structural Information

Molecular Formula
C10H7NO4
SMILES
C1=CC2=C(C(=C1)C(=O)O)NC(=C2)C(=O)O
InChI
InChI=1S/C10H7NO4/c12-9(13)6-3-1-2-5-4-7(10(14)15)11-8(5)6/h1-4,11H,(H,12,13)(H,14,15)
InChIKey
GPZDWQUDHYWQBS-UHFFFAOYSA-N
Compound name
1H-indole-2,7-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

205.0375 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.044776 139.7
[M+Na]+ 228.026718 149.2
[M-H]- 204.030224 140.0
[M+NH4]+ 223.071323 158.1
[M+K]+ 244.000658 145.5
[M+H-H2O]+ 188.034760 134.3
[M+HCOO]- 250.035701 159.3
[M+CH3COO]- 264.051351 177.4
[M+Na-2H]- 226.012166 143.9
[M]+ 205.03695142 139.7
[M]- 205.03804858 139.7
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