CID 70700706

Tert-butyl 5-methoxy-1h-indole-3-carboxylate

Structural Information

Molecular Formula
C14H17NO3
SMILES
CC(C)(C)OC(=O)C1=CNC2=C1C=C(C=C2)OC
InChI
InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)11-8-15-12-6-5-9(17-4)7-10(11)12/h5-8,15H,1-4H3
InChIKey
RLUABYIWAMNZJD-UHFFFAOYSA-N
Compound name
tert-butyl 5-methoxy-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12085 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 156.7
[M+Na]+ 270.11007 166.1
[M-H]- 246.11357 159.5
[M+NH4]+ 265.15467 175.5
[M+K]+ 286.08401 163.3
[M+H-H2O]+ 230.11811 151.0
[M+HCOO]- 292.11905 177.1
[M+CH3COO]- 306.13470 191.0
[M+Na-2H]- 268.09552 161.8
[M]+ 247.12030 161.2
[M]- 247.12140 161.2
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

No patent data available for this compound.