CID 84684554

1784870-45-6

Structural Information

Molecular Formula
C12H13NO3
SMILES
CC1=C(NC2=C1C=C(C=C2OC)C(=O)O)C
InChI
InChI=1S/C12H13NO3/c1-6-7(2)13-11-9(6)4-8(12(14)15)5-10(11)16-3/h4-5,13H,1-3H3,(H,14,15)
InChIKey
RLQNQCWSEXNBSK-UHFFFAOYSA-N
Compound name
7-methoxy-2,3-dimethyl-1H-indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 146.9
[M+Na]+ 242.07876 159.6
[M+NH4]+ 237.12336 154.0
[M+K]+ 258.05270 156.3
[M-H]- 218.08226 147.0
[M+Na-2H]- 240.06421 150.9
[M]+ 219.08899 148.6
[M]- 219.09009 148.6
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

No patent data available for this compound.