CID 49853152

1142816-66-7

Structural Information

Molecular Formula
C11H13NO3
SMILES
CCOC(=O)C1=CC2=C(N1)CCCC2=O
InChI
InChI=1S/C11H13NO3/c1-2-15-11(14)9-6-7-8(12-9)4-3-5-10(7)13/h6,12H,2-5H2,1H3
InChIKey
LIDPGDOLSVFKTR-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

207.08954 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.8
[M+Na]+ 230.07876 152.2
[M-H]- 206.08226 146.4
[M+NH4]+ 225.12336 164.6
[M+K]+ 246.05270 149.5
[M+H-H2O]+ 190.08680 138.9
[M+HCOO]- 252.08774 163.6
[M+CH3COO]- 266.10339 182.4
[M+Na-2H]- 228.06421 147.6
[M]+ 207.08899 143.7
[M]- 207.09009 143.7
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