CID 11822878

Tert-butyl 5-iodopicolinate

Structural Information

Molecular Formula
C10H12INO2
SMILES
CC(C)(C)OC(=O)C1=NC=C(C=C1)I
InChI
InChI=1S/C10H12INO2/c1-10(2,3)14-9(13)8-5-4-7(11)6-12-8/h4-6H,1-3H3
InChIKey
HZMYUTRZBHUYBF-UHFFFAOYSA-N
Compound name
tert-butyl 5-iodopyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.99127 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.99855 153.2
[M+Na]+ 327.98049 157.5
[M+NH4]+ 323.02509 156.0
[M+K]+ 343.95443 155.7
[M-H]- 303.98399 147.3
[M+Na-2H]- 325.96594 146.3
[M]+ 304.99072 151.0
[M]- 304.99182 151.0
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.