CID 15067967

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

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC1=CC=CC2=C1NC=C2C(=O)O
InChI
InChI=1S/C10H9NO3/c1-14-8-4-2-3-6-7(10(12)13)5-11-9(6)8/h2-5,11H,1H3,(H,12,13)
InChIKey
MSALXMDIYCKASR-UHFFFAOYSA-N
Compound name
7-methoxy-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

191.05824 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 137.2
[M+Na]+ 214.04746 147.4
[M-H]- 190.05096 138.8
[M+NH4]+ 209.09206 157.3
[M+K]+ 230.02140 144.0
[M+H-H2O]+ 174.05550 131.6
[M+HCOO]- 236.05644 159.1
[M+CH3COO]- 250.07209 177.4
[M+Na-2H]- 212.03291 143.1
[M]+ 191.05769 139.0
[M]- 191.05879 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