CID 2517706

37711-24-3

Structural Information

Molecular Formula
C14H19NO3
SMILES
CCOC(=O)C1=C(C2=C(N1)CC(CC2=O)(C)C)C
InChI
InChI=1S/C14H19NO3/c1-5-18-13(17)12-8(2)11-9(15-12)6-14(3,4)7-10(11)16/h15H,5-7H2,1-4H3
InChIKey
NSZWVSKVSFAGFP-UHFFFAOYSA-N
Compound name
ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

249.13649 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 156.1
[M+Na]+ 272.12571 165.1
[M-H]- 248.12921 158.4
[M+NH4]+ 267.17031 177.0
[M+K]+ 288.09965 161.9
[M+H-H2O]+ 232.13375 151.3
[M+HCOO]- 294.13469 173.9
[M+CH3COO]- 308.15034 193.5
[M+Na-2H]- 270.11116 157.5
[M]+ 249.13594 157.3
[M]- 249.13704 157.3
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