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 145.9
[M+Na]+ 242.07876 157.1
[M-H]- 218.08226 148.0
[M+NH4]+ 237.12336 165.5
[M+K]+ 258.05270 153.3
[M+H-H2O]+ 202.08680 140.6
[M+HCOO]- 264.08774 167.1
[M+CH3COO]- 278.10339 185.9
[M+Na-2H]- 240.06421 149.4
[M]+ 219.08899 149.3
[M]- 219.09009 149.3
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.