CID 25307168

917562-23-3

Structural Information

Molecular Formula
C15H17NO4
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1C(=CC=C2)C(=O)OC
InChI
InChI=1S/C15H17NO4/c1-15(2,3)20-14(18)16-9-8-10-6-5-7-11(12(10)16)13(17)19-4/h5-9H,1-4H3
InChIKey
LFIINZZVXMUCCL-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 7-O-methyl indole-1,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

275.11575 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 162.6
[M+Na]+ 298.10497 171.9
[M-H]- 274.10847 166.8
[M+NH4]+ 293.14957 180.9
[M+K]+ 314.07891 170.3
[M+H-H2O]+ 258.11301 156.5
[M+HCOO]- 320.11395 183.6
[M+CH3COO]- 334.12960 197.3
[M+Na-2H]- 296.09042 166.6
[M]+ 275.11520 169.2
[M]- 275.11630 169.2
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