CID 3702610

2,3-dimethyl-1h-indole-7-carboxylic acid

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1=C(NC2=C1C=CC=C2C(=O)O)C
InChI
InChI=1S/C11H11NO2/c1-6-7(2)12-10-8(6)4-3-5-9(10)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKey
ITMIUTVFOTYMOJ-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1H-indole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

189.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 139.2
[M+Na]+ 212.06820 152.2
[M+NH4]+ 207.11280 147.1
[M+K]+ 228.04214 148.4
[M-H]- 188.07170 139.8
[M+Na-2H]- 210.05365 144.2
[M]+ 189.07843 141.1
[M]- 189.07953 141.1
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