CID 83328

Ethyl 1h-indole-1-carboxylate

Structural Information

Molecular Formula
C11H11NO2
SMILES
CCOC(=O)N1C=CC2=CC=CC=C21
InChI
InChI=1S/C11H11NO2/c1-2-14-11(13)12-8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3
InChIKey
OEXNQFWEJRSZBW-UHFFFAOYSA-N
Compound name
ethyl indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

189.07898 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 138.7
[M+Na]+ 212.068198 148.7
[M-H]- 188.071704 142.6
[M+NH4]+ 207.112803 160.3
[M+K]+ 228.042138 146.4
[M+H-H2O]+ 172.076240 132.4
[M+HCOO]- 234.077181 163.2
[M+CH3COO]- 248.092831 180.9
[M+Na-2H]- 210.053646 145.6
[M]+ 189.07843142 142.6
[M]- 189.07952858 142.6
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