CID 3157472

3,5-dimethyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1=CC2=C(C=C1)NC(=C2C)C(=O)O
InChI
InChI=1S/C11H11NO2/c1-6-3-4-9-8(5-6)7(2)10(12-9)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKey
GBZZEXCOEXFISD-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

189.07898 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

patents stripe