CID 145915766

2402830-69-5

Structural Information

Molecular Formula
C10H14IN3O2
SMILES
CC(C)(C)OC(=O)NC1=C(C(=NC=C1)N)I
InChI
InChI=1S/C10H14IN3O2/c1-10(2,3)16-9(15)14-6-4-5-13-8(12)7(6)11/h4-5H,1-3H3,(H3,12,13,14,15)
InChIKey
PTXXZQOYGZFQPL-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-3-iodopyridin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.01306 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.02034 167.5
[M+Na]+ 358.00228 167.6
[M-H]- 334.00578 162.9
[M+NH4]+ 353.04688 179.0
[M+K]+ 373.97622 171.9
[M+H-H2O]+ 318.01032 156.9
[M+HCOO]- 380.01126 184.3
[M+CH3COO]- 394.02691 201.7
[M+Na-2H]- 355.98773 159.6
[M]+ 335.01251 164.6
[M]- 335.01361 164.6
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.