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

17
Patents

235.23 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.23728 160.6
[M+Na]+ 258.21922 166.9
[M-H]- 234.22272 162.2
[M+NH4]+ 253.26382 178.1
[M+K]+ 274.19316 163.5
[M+H-H2O]+ 218.22726 153.6
[M+HCOO]- 280.22820 180.1
[M+CH3COO]- 294.24385 199.0
[M+Na-2H]- 256.20467 162.1
[M]+ 235.22945 163.4
[M]- 235.23055 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