CID 15200575

3-formyl-1h-indole-5-carboxylic acid

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC2=C(C=C1C(=O)O)C(=CN2)C=O
InChI
InChI=1S/C10H7NO3/c12-5-7-4-11-9-2-1-6(10(13)14)3-8(7)9/h1-5,11H,(H,13,14)
InChIKey
TUXSUQLMUWDUDS-UHFFFAOYSA-N
Compound name
3-formyl-1H-indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

189.04259 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

patents stripe