CID 17750956

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

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC1=CC2=C(C=C1)C(=CN2)C(=O)O
InChI
InChI=1S/C10H9NO3/c1-14-6-2-3-7-8(10(12)13)5-11-9(7)4-6/h2-5,11H,1H3,(H,12,13)
InChIKey
LPBGVZVDBKMWFS-UHFFFAOYSA-N
Compound name
6-methoxy-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

191.05824 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe