CID 69151

3,4-diethylpyridine

Structural Information

Molecular Formula
C9H13N
SMILES
CCC1=C(C=NC=C1)CC
InChI
InChI=1S/C9H13N/c1-3-8-5-6-10-7-9(8)4-2/h5-7H,3-4H2,1-2H3
InChIKey
APVBPNQCNREQQD-UHFFFAOYSA-N
Compound name
3,4-diethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
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 127.5
[M+Na]+ 158.094018 135.9
[M-H]- 134.097524 129.9
[M+NH4]+ 153.138623 148.5
[M+K]+ 174.067958 134.1
[M+H-H2O]+ 118.102060 121.4
[M+HCOO]- 180.103001 150.8
[M+CH3COO]- 194.118651 175.2
[M+Na-2H]- 156.079466 135.3
[M]+ 135.10425142 128.3
[M]- 135.10534858 128.3
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