CID 24728907

Tert-butyl 7-hydroxy-1h-indole-1-carboxylate

Structural Information

Molecular Formula
C13H15NO3
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1C(=CC=C2)O
InChI
InChI=1S/C13H15NO3/c1-13(2,3)17-12(16)14-8-7-9-5-4-6-10(15)11(9)14/h4-8,15H,1-3H3
InChIKey
AXJXBZZOZPYABA-UHFFFAOYSA-N
Compound name
tert-butyl 7-hydroxyindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 152.2
[M+Na]+ 256.09442 162.1
[M-H]- 232.09792 155.1
[M+NH4]+ 251.13902 171.7
[M+K]+ 272.06836 159.5
[M+H-H2O]+ 216.10246 146.7
[M+HCOO]- 278.10340 173.0
[M+CH3COO]- 292.11905 187.3
[M+Na-2H]- 254.07987 157.7
[M]+ 233.10465 156.2
[M]- 233.10575 156.2
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.