CID 104277756

Tert-butyl 7-ethynyl-2,3-dihydro-1h-indole-1-carboxylate

Structural Information

Molecular Formula
C15H17NO2
SMILES
CC(C)(C)OC(=O)N1CCC2=C1C(=CC=C2)C#C
InChI
InChI=1S/C15H17NO2/c1-5-11-7-6-8-12-9-10-16(13(11)12)14(17)18-15(2,3)4/h1,6-8H,9-10H2,2-4H3
InChIKey
FNPPYPUZJCNJML-UHFFFAOYSA-N
Compound name
tert-butyl 7-ethynyl-2,3-dihydroindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 156.4
[M+Na]+ 266.11515 167.2
[M+NH4]+ 261.15975 160.4
[M+K]+ 282.08909 160.2
[M-H]- 242.11865 148.7
[M+Na-2H]- 264.10060 157.2
[M]+ 243.12538 154.9
[M]- 243.12648 154.9
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.