CID 45588116

1065483-56-8

Structural Information

Molecular Formula
C11H15IN2O2
SMILES
CC1=CC(=CN=C1NC(=O)OC(C)(C)C)I
InChI
InChI=1S/C11H15IN2O2/c1-7-5-8(12)6-13-9(7)14-10(15)16-11(2,3)4/h5-6H,1-4H3,(H,13,14,15)
InChIKey
FHYQGTNIXKGNCL-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-iodo-3-methylpyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.01782 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02510 163.5
[M+Na]+ 357.00704 164.2
[M-H]- 333.01054 159.3
[M+NH4]+ 352.05164 175.8
[M+K]+ 372.98098 168.6
[M+H-H2O]+ 317.01508 153.3
[M+HCOO]- 379.01602 179.8
[M+CH3COO]- 393.03167 200.3
[M+Na-2H]- 354.99249 156.2
[M]+ 334.01727 162.8
[M]- 334.01837 162.8
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.