CID 16125958

5-iodo-1h-indole, n-boc protected

Structural Information

Molecular Formula
C13H14INO2
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)I
InChI
InChI=1S/C13H14INO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,1-3H3
InChIKey
RMYVMKHVFXTKPF-UHFFFAOYSA-N
Compound name
tert-butyl 5-iodoindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

343.00693 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.01421 159.2
[M+Na]+ 365.99615 162.2
[M-H]- 341.99965 156.2
[M+NH4]+ 361.04075 174.3
[M+K]+ 381.97009 165.4
[M+H-H2O]+ 326.00419 149.8
[M+HCOO]- 388.00513 176.0
[M+CH3COO]- 402.02078 198.5
[M+Na-2H]- 363.98160 152.9
[M]+ 343.00638 160.9
[M]- 343.00748 160.9
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.