CID 114238

1-butyl-3,5-diethyl-1,2-dihydro-2-propylpyridine

Structural Information

Molecular Formula
C16H29N
SMILES
CCCCN1C=C(C=C(C1CCC)CC)CC
InChI
InChI=1S/C16H29N/c1-5-9-11-17-13-14(7-3)12-15(8-4)16(17)10-6-2/h12-13,16H,5-11H2,1-4H3
InChIKey
UXTIXCUXLURDHW-UHFFFAOYSA-N
Compound name
1-butyl-3,5-diethyl-2-propyl-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

235.23 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.237276 160.6
[M+Na]+ 258.219218 166.9
[M-H]- 234.222724 162.2
[M+NH4]+ 253.263823 178.1
[M+K]+ 274.193158 163.5
[M+H-H2O]+ 218.227260 153.6
[M+HCOO]- 280.228201 180.1
[M+CH3COO]- 294.243851 199.0
[M+Na-2H]- 256.204666 162.1
[M]+ 235.22945142 163.4
[M]- 235.23054858 163.4
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