CID 138111

1-methyl-2(1h)-pyridinimine,hydriodide (1:1)

Structural Information

Molecular Formula
C6H8N2
SMILES
CN1C=CC=CC1=N
InChI
InChI=1S/C6H8N2/c1-8-5-3-2-4-6(8)7/h2-5,7H,1H3
InChIKey
SSDQZFNBHWFLIZ-UHFFFAOYSA-N
Compound name
1-methylpyridin-2-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

97
Patents

108.06875 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.07603 117.3
[M+Na]+ 131.05797 126.5
[M-H]- 107.06147 120.3
[M+NH4]+ 126.10257 139.0
[M+K]+ 147.03191 124.6
[M+H-H2O]+ 91.066010 111.5
[M+HCOO]- 153.06695 142.9
[M+CH3COO]- 167.08260 169.9
[M+Na-2H]- 129.04342 127.0
[M]+ 108.06820 115.6
[M]- 108.06930 115.6
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