CID 4308326

1h-indole-2,5-dicarboxylic acid

Structural Information

Molecular Formula
C10H7NO4
SMILES
C1=CC2=C(C=C1C(=O)O)C=C(N2)C(=O)O
InChI
InChI=1S/C10H7NO4/c12-9(13)5-1-2-7-6(3-5)4-8(11-7)10(14)15/h1-4,11H,(H,12,13)(H,14,15)
InChIKey
MUABQYJAPOQWCH-UHFFFAOYSA-N
Compound name
1H-indole-2,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

116
Patents

205.0375 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04478 139.7
[M+Na]+ 228.02672 149.2
[M-H]- 204.03022 140.0
[M+NH4]+ 223.07132 158.1
[M+K]+ 244.00066 145.5
[M+H-H2O]+ 188.03476 134.3
[M+HCOO]- 250.03570 159.3
[M+CH3COO]- 264.05135 177.4
[M+Na-2H]- 226.01217 143.9
[M]+ 205.03695 139.7
[M]- 205.03805 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

literature stripe

Patent stripe

patents stripe