CID 4777843

3-formyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C2C(=C1)C(=C(N2)C(=O)O)C=O
InChI
InChI=1S/C10H7NO3/c12-5-7-6-3-1-2-4-8(6)11-9(7)10(13)14/h1-5,11H,(H,13,14)
InChIKey
PRFDLSPESODVAW-UHFFFAOYSA-N
Compound name
3-formyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

189.04259 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 136.1
[M+Na]+ 212.03181 146.6
[M-H]- 188.03531 137.7
[M+NH4]+ 207.07641 156.2
[M+K]+ 228.00575 142.6
[M+H-H2O]+ 172.03985 130.6
[M+HCOO]- 234.04079 158.2
[M+CH3COO]- 248.05644 176.6
[M+Na-2H]- 210.01726 142.0
[M]+ 189.04204 137.2
[M]- 189.04314 137.2
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