CID 53668780

272438-11-6

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)16-8-7-10-9-11(13(17)19-4)5-6-12(10)16/h5-9H,1-4H3
InChIKey
AYLPJERLLUZRGD-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 5-O-methyl indole-1,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
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 161.4
[M+Na]+ 298.10497 172.7
[M+NH4]+ 293.14957 167.6
[M+K]+ 314.07891 170.3
[M-H]- 274.10847 160.8
[M+Na-2H]- 296.09042 165.5
[M]+ 275.11520 162.7
[M]- 275.11630 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe