CID 105527629

1784603-74-2

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC(C)(C)OC(=O)N1CCC2=C1C(=C(C=C2)C(=O)OC)O
InChI
InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-8-7-9-5-6-10(13(18)20-4)12(17)11(9)16/h5-6,17H,7-8H2,1-4H3
InChIKey
MLTHOAOBLBAPQG-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 6-O-methyl 7-hydroxy-2,3-dihydroindole-1,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1263 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 167.0
[M+Na]+ 316.11552 174.6
[M-H]- 292.11902 169.3
[M+NH4]+ 311.16012 183.8
[M+K]+ 332.08946 173.3
[M+H-H2O]+ 276.12356 161.6
[M+HCOO]- 338.12450 183.8
[M+CH3COO]- 352.14015 198.9
[M+Na-2H]- 314.10097 168.4
[M]+ 293.12575 170.8
[M]- 293.12685 170.8
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

No patent data available for this compound.