CID 42553060

942206-32-8

Structural Information

Molecular Formula
C12H17IN2O
SMILES
CC1=CC(=CN=C1N(C)C(=O)C(C)(C)C)I
InChI
InChI=1S/C12H17IN2O/c1-8-6-9(13)7-14-10(8)15(5)11(16)12(2,3)4/h6-7H,1-5H3
InChIKey
DVWSBCSVOMXUIR-UHFFFAOYSA-N
Compound name
N-(5-iodo-3-methylpyridin-2-yl)-N,2,2-trimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.03857 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.04585 161.0
[M+Na]+ 355.02779 161.6
[M-H]- 331.03129 158.1
[M+NH4]+ 350.07239 174.1
[M+K]+ 371.00173 166.6
[M+H-H2O]+ 315.03583 150.8
[M+HCOO]- 377.03677 177.4
[M+CH3COO]- 391.05242 205.1
[M+Na-2H]- 353.01324 152.9
[M]+ 332.03802 160.7
[M]- 332.03912 160.7
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.