CID 3532980

1-(tert-butoxycarbonyl)indole

Structural Information

Molecular Formula
C13H15NO2
SMILES
CC(C)(C)OC(=O)N1C=CC2=CC=CC=C21
InChI
InChI=1S/C13H15NO2/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14/h4-9H,1-3H3
InChIKey
OWPIFQXNMLDXKW-UHFFFAOYSA-N
Compound name
tert-butyl indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

790
Patents

217.11028 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 149.0
[M+Na]+ 240.09950 158.7
[M-H]- 216.10300 153.0
[M+NH4]+ 235.14410 169.7
[M+K]+ 256.07344 156.3
[M+H-H2O]+ 200.10754 143.1
[M+HCOO]- 262.10848 171.2
[M+CH3COO]- 276.12413 186.6
[M+Na-2H]- 238.08495 155.6
[M]+ 217.10973 153.1
[M]- 217.11083 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe