CID 17750955

4-methoxy-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC1=CC=CC2=C1C(=CN2)C(=O)O
InChI
InChI=1S/C10H9NO3/c1-14-8-4-2-3-7-9(8)6(5-11-7)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKey
CWWWWJZMLMUDIM-UHFFFAOYSA-N
Compound name
4-methoxy-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

191.05824 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 137.2
[M+Na]+ 214.047458 147.4
[M-H]- 190.050964 138.8
[M+NH4]+ 209.092063 157.3
[M+K]+ 230.021398 144.0
[M+H-H2O]+ 174.055500 131.6
[M+HCOO]- 236.056441 159.1
[M+CH3COO]- 250.072091 177.4
[M+Na-2H]- 212.032906 143.1
[M]+ 191.05769142 139.0
[M]- 191.05878858 139.0
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