CID 53436607

2-(heptadeca-1,3-dien-1-yl)furan

Structural Information

Molecular Formula
C21H34O
SMILES
CCCCCCCCCCCCCC=CC=CC1=CC=CO1
InChI
InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h14-20H,2-13H2,1H3
InChIKey
WRLSFCPGUMEHJM-UHFFFAOYSA-N
Compound name
2-heptadeca-1,3-dienylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

302.26096 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.26824 183.4
[M+Na]+ 325.25018 186.4
[M-H]- 301.25368 185.2
[M+NH4]+ 320.29478 199.0
[M+K]+ 341.22412 181.8
[M+H-H2O]+ 285.25822 176.0
[M+HCOO]- 347.25916 204.3
[M+CH3COO]- 361.27481 206.6
[M+Na-2H]- 323.23563 183.6
[M]+ 302.26041 188.8
[M]- 302.26151 188.8
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