CID 1111372

5-hydroxy-2-methyl-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C10H9NO3
SMILES
CC1=C(C2=C(N1)C=CC(=C2)O)C(=O)O
InChI
InChI=1S/C10H9NO3/c1-5-9(10(13)14)7-4-6(12)2-3-8(7)11-5/h2-4,11-12H,1H3,(H,13,14)
InChIKey
FHSZQYNWIIHBAX-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methyl-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

191.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 137.6
[M+Na]+ 214.047458 148.2
[M-H]- 190.050964 138.2
[M+NH4]+ 209.092063 157.2
[M+K]+ 230.021398 144.0
[M+H-H2O]+ 174.055500 132.6
[M+HCOO]- 236.056441 157.9
[M+CH3COO]- 250.072091 176.3
[M+Na-2H]- 212.032906 142.3
[M]+ 191.05769142 138.0
[M]- 191.05878858 138.0
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