CID 54390712

3-iodo-2,4-dimethylpyridine hydrochloride

Structural Information

Molecular Formula
C7H8IN
SMILES
CC1=C(C(=NC=C1)C)I
InChI
InChI=1S/C7H8IN/c1-5-3-4-9-6(2)7(5)8/h3-4H,1-2H3
InChIKey
VGKSTPRNYCLLNC-UHFFFAOYSA-N
Compound name
3-iodo-2,4-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

232.97015 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.97743 128.5
[M+Na]+ 255.95937 131.3
[M-H]- 231.96287 124.5
[M+NH4]+ 251.00397 145.0
[M+K]+ 271.93331 135.5
[M+H-H2O]+ 215.96741 119.3
[M+HCOO]- 277.96835 147.1
[M+CH3COO]- 291.98400 182.1
[M+Na-2H]- 253.94482 124.2
[M]+ 232.96960 126.6
[M]- 232.97070 126.6
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

patents stripe