CID 2772885

2,3-dimethyl-1h-indole-6-carboxylic acid

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1=C(NC2=C1C=CC(=C2)C(=O)O)C
InChI
InChI=1S/C11H11NO2/c1-6-7(2)12-10-5-8(11(13)14)3-4-9(6)10/h3-5,12H,1-2H3,(H,13,14)
InChIKey
UDPOIMGOHQYJEE-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1H-indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 138.6
[M+Na]+ 212.06820 149.5
[M-H]- 188.07170 140.5
[M+NH4]+ 207.11280 159.2
[M+K]+ 228.04214 145.3
[M+H-H2O]+ 172.07624 133.4
[M+HCOO]- 234.07718 160.0
[M+CH3COO]- 248.09283 179.5
[M+Na-2H]- 210.05365 143.2
[M]+ 189.07843 139.8
[M]- 189.07953 139.8
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