CID 3016593

2-(4,8-dimethyl-3,7-nonadien-1-yl)pyridine

Structural Information

Molecular Formula
C16H23N
SMILES
CC(=CCCC(=CCCC1=CC=CC=N1)C)C
InChI
InChI=1S/C16H23N/c1-14(2)8-6-9-15(3)10-7-12-16-11-4-5-13-17-16/h4-5,8,10-11,13H,6-7,9,12H2,1-3H3
InChIKey
ZNQSUAAJUQLBDE-UHFFFAOYSA-N
Compound name
2-(4,8-dimethylnona-3,7-dienyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18304 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.19032 158.6
[M+Na]+ 252.17226 163.4
[M-H]- 228.17576 159.7
[M+NH4]+ 247.21686 175.3
[M+K]+ 268.14620 159.3
[M+H-H2O]+ 212.18030 151.2
[M+HCOO]- 274.18124 178.0
[M+CH3COO]- 288.19689 193.8
[M+Na-2H]- 250.15771 160.8
[M]+ 229.18249 158.8
[M]- 229.18359 158.8
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