CID 11593831

5-aminoindole, n1-boc protected

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)N
InChI
InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,14H2,1-3H3
InChIKey
KYCVRKPFNLCHLL-UHFFFAOYSA-N
Compound name
tert-butyl 5-aminoindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

232.12119 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 153.2
[M+Na]+ 255.11041 162.8
[M-H]- 231.11391 157.0
[M+NH4]+ 250.15501 172.9
[M+K]+ 271.08435 160.1
[M+H-H2O]+ 215.11845 147.1
[M+HCOO]- 277.11939 175.7
[M+CH3COO]- 291.13504 192.0
[M+Na-2H]- 253.09586 158.5
[M]+ 232.12064 155.9
[M]- 232.12174 155.9
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

patents stripe