CID 5316534

Dendrolasin

Structural Information

Molecular Formula
C15H22O
SMILES
CC(=CCC/C(=C/CCC1=COC=C1)/C)C
InChI
InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+
InChIKey
LZBXPXAOYQVZEC-RIYZIHGNSA-N
Compound name
3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

70
Patents

218.16707 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 157.2
[M+Na]+ 241.15629 162.4
[M-H]- 217.15979 160.5
[M+NH4]+ 236.20089 176.2
[M+K]+ 257.13023 160.2
[M+H-H2O]+ 201.16433 151.3
[M+HCOO]- 263.16527 178.2
[M+CH3COO]- 277.18092 190.1
[M+Na-2H]- 239.14174 158.3
[M]+ 218.16652 159.2
[M]- 218.16762 159.2
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