CID 11526

2,5-dimethylpyridine

Structural Information

Molecular Formula
C7H9N
SMILES
CC1=CN=C(C=C1)C
InChI
InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3
InChIKey
XWKFPIODWVPXLX-UHFFFAOYSA-N
Compound name
2,5-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

68405
Patents

107.0735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.08078 118.0
[M+Na]+ 130.06272 127.4
[M-H]- 106.06622 120.9
[M+NH4]+ 125.10732 140.2
[M+K]+ 146.03666 126.1
[M+H-H2O]+ 90.070760 112.4
[M+HCOO]- 152.07170 142.1
[M+CH3COO]- 166.08735 169.1
[M+Na-2H]- 128.04817 127.0
[M]+ 107.07295 118.2
[M]- 107.07405 118.2
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