CID 70752

2-ethyl-3,5-dimethylpyridine

Structural Information

Molecular Formula
C9H13N
SMILES
CCC1=C(C=C(C=N1)C)C
InChI
InChI=1S/C9H13N/c1-4-9-8(3)5-7(2)6-10-9/h5-6H,4H2,1-3H3
InChIKey
QLUUXTUCKOZMEL-UHFFFAOYSA-N
Compound name
2-ethyl-3,5-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

268
Patents

135.1048 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 126.8
[M+Na]+ 158.094018 136.2
[M-H]- 134.097524 129.7
[M+NH4]+ 153.138623 148.2
[M+K]+ 174.067958 134.4
[M+H-H2O]+ 118.102060 121.0
[M+HCOO]- 180.103001 150.2
[M+CH3COO]- 194.118651 176.3
[M+Na-2H]- 156.079466 133.9
[M]+ 135.10425142 128.1
[M]- 135.10534858 128.1
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