CID 2796697

3-formyl-1h-indole-7-carboxylic acid

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC2=C(C(=C1)C(=O)O)NC=C2C=O
InChI
InChI=1S/C10H7NO3/c12-5-6-4-11-9-7(6)2-1-3-8(9)10(13)14/h1-5,11H,(H,13,14)
InChIKey
HABYJDPNVBUDGD-UHFFFAOYSA-N
Compound name
3-formyl-1H-indole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

189.04259 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.049866 136.1
[M+Na]+ 212.031808 146.6
[M-H]- 188.035314 137.7
[M+NH4]+ 207.076413 156.2
[M+K]+ 228.005748 142.6
[M+H-H2O]+ 172.039850 130.6
[M+HCOO]- 234.040791 158.2
[M+CH3COO]- 248.056441 176.6
[M+Na-2H]- 210.017256 142.0
[M]+ 189.04204142 137.2
[M]- 189.04313858 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