CID 609042

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

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC1=C(N(C2=C1C=C(C=C2)C(=O)O)C)C
InChI
InChI=1S/C12H13NO2/c1-7-8(2)13(3)11-5-4-9(12(14)15)6-10(7)11/h4-6H,1-3H3,(H,14,15)
InChIKey
WMRXNYCNGNFJOH-UHFFFAOYSA-N
Compound name
1,2,3-trimethylindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

58
Patents

203.09464 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 143.1
[M+Na]+ 226.08386 156.8
[M+NH4]+ 221.12846 151.2
[M+K]+ 242.05780 152.7
[M-H]- 202.08736 144.3
[M+Na-2H]- 224.06931 148.2
[M]+ 203.09409 145.3
[M]- 203.09519 145.3
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