CID 14384884

1-ethyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H11NO2
SMILES
CCN1C2=CC=CC=C2C=C1C(=O)O
InChI
InChI=1S/C11H11NO2/c1-2-12-9-6-4-3-5-8(9)7-10(12)11(13)14/h3-7H,2H2,1H3,(H,13,14)
InChIKey
FPVIIOSXSGECQO-UHFFFAOYSA-N
Compound name
1-ethylindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

142
Patents

189.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 138.4
[M+Na]+ 212.068198 148.7
[M-H]- 188.071704 141.2
[M+NH4]+ 207.112803 159.4
[M+K]+ 228.042138 145.4
[M+H-H2O]+ 172.076240 132.6
[M+HCOO]- 234.077181 161.3
[M+CH3COO]- 248.092831 180.8
[M+Na-2H]- 210.053646 144.1
[M]+ 189.07843142 141.0
[M]- 189.07952858 141.0
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