CID 56936251

3,4-epoxy-6,9-octadecadiene

Structural Information

Molecular Formula
C18H32O
SMILES
CCCCCCCC/C=C\C/C=C\CC1C(O1)CC
InChI
InChI=1S/C18H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-17(4-2)19-18/h11-12,14-15,17-18H,3-10,13,16H2,1-2H3/b12-11-,15-14-
InChIKey
YBICCWVMVPFDAY-HDXUUTQWSA-N
Compound name
2-ethyl-3-[(2Z,5Z)-tetradeca-2,5-dienyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.24533 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.25261 169.3
[M+Na]+ 287.23455 175.4
[M-H]- 263.23805 173.2
[M+NH4]+ 282.27915 180.8
[M+K]+ 303.20849 171.4
[M+H-H2O]+ 247.24259 161.9
[M+HCOO]- 309.24353 189.4
[M+CH3COO]- 323.25918 204.2
[M+Na-2H]- 285.22000 171.3
[M]+ 264.24478 177.1
[M]- 264.24588 177.1
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

No patent data available for this compound.