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]+ 294.133576 167.0
[M+Na]+ 316.115518 174.6
[M-H]- 292.119024 169.3
[M+NH4]+ 311.160123 183.8
[M+K]+ 332.089458 173.3
[M+H-H2O]+ 276.123560 161.6
[M+HCOO]- 338.124501 183.8
[M+CH3COO]- 352.140151 198.9
[M+Na-2H]- 314.100966 168.4
[M]+ 293.12575142 170.8
[M]- 293.12684858 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.