CID 66575048

928771-49-7

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC2=C1C=C(C=C2)C(=O)OC
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-8-7-10-5-6-11(9-12(10)16)13(17)19-4/h5-6,9H,7-8H2,1-4H3
InChIKey
NAMYXEGXVXXICU-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 6-O-methyl 2,3-dihydroindole-1,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

277.1314 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 164.5
[M+Na]+ 300.12062 171.9
[M-H]- 276.12412 167.9
[M+NH4]+ 295.16522 182.5
[M+K]+ 316.09456 170.7
[M+H-H2O]+ 260.12866 158.6
[M+HCOO]- 322.12960 182.7
[M+CH3COO]- 336.14525 197.9
[M+Na-2H]- 298.10607 166.8
[M]+ 277.13085 168.4
[M]- 277.13195 168.4
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