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]+ 260.128126 160.2
[M+Na]+ 282.110068 171.6
[M-H]- 258.113574 168.6
[M+NH4]+ 277.154673 173.1
[M+K]+ 298.084008 168.9
[M+H-H2O]+ 242.118110 153.8
[M+HCOO]- 304.119051 180.9
[M+CH3COO]- 318.134701 197.2
[M+Na-2H]- 280.095516 165.9
[M]+ 259.12030142 168.2
[M]- 259.12139858 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.