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

53
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

literature stripe

Patent stripe

patents stripe