CID 165898575

Tert-butyl 5-(oxiran-2-yl)-1h-indole-1-carboxylate

Structural Information

Molecular Formula
C15H17NO3
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)C3CO3
InChI
InChI=1S/C15H17NO3/c1-15(2,3)19-14(17)16-7-6-10-8-11(13-9-18-13)4-5-12(10)16/h4-8,13H,9H2,1-3H3
InChIKey
CENSGASUHBWFGG-UHFFFAOYSA-N
Compound name
tert-butyl 5-(oxiran-2-yl)indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 162.0
[M+Na]+ 282.11007 176.3
[M+NH4]+ 277.15467 170.3
[M+K]+ 298.08401 173.9
[M-H]- 258.11357 172.1
[M+Na-2H]- 280.09552 169.9
[M]+ 259.12030 168.2
[M]- 259.12140 168.2
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.