CID 78531

3,5-diethyl-2-propylpyridine

Structural Information

Molecular Formula
C12H19N
SMILES
CCCC1=C(C=C(C=N1)CC)CC
InChI
InChI=1S/C12H19N/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h8-9H,4-7H2,1-3H3
InChIKey
SCJHPUGWYHCYAZ-UHFFFAOYSA-N
Compound name
3,5-diethyl-2-propylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

699
Patents

177.15175 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 140.9
[M+Na]+ 200.140968 149.0
[M-H]- 176.144474 143.2
[M+NH4]+ 195.185573 160.5
[M+K]+ 216.114908 146.4
[M+H-H2O]+ 160.149010 134.4
[M+HCOO]- 222.149951 163.2
[M+CH3COO]- 236.165601 185.4
[M+Na-2H]- 198.126416 146.3
[M]+ 177.15120142 143.2
[M]- 177.15229858 143.2
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