CID 10946636

113975-31-8

Structural Information

Molecular Formula
C10H13IN2O
SMILES
CC(C)(C)C(=O)NC1=C(C=CC=N1)I
InChI
InChI=1S/C10H13IN2O/c1-10(2,3)9(14)13-8-7(11)5-4-6-12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKey
WHHVZQZQGUTYJM-UHFFFAOYSA-N
Compound name
N-(3-iodopyridin-2-yl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

304.00726 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01454 155.3
[M+Na]+ 326.99648 155.5
[M-H]- 302.99998 150.8
[M+NH4]+ 322.04108 168.4
[M+K]+ 342.97042 159.5
[M+H-H2O]+ 287.00452 145.2
[M+HCOO]- 349.00546 171.7
[M+CH3COO]- 363.02111 194.9
[M+Na-2H]- 324.98193 149.2
[M]+ 304.00671 152.6
[M]- 304.00781 152.6
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