CID 14681521

3s,4r-epoxy-6z,9z-heptadecadiene

Structural Information

Molecular Formula
C17H30O
SMILES
CCCCCCC/C=C\C/C=C\C[C@@H]1[C@@H](O1)CC
InChI
InChI=1S/C17H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-16(4-2)18-17/h10-11,13-14,16-17H,3-9,12,15H2,1-2H3/b11-10-,14-13-/t16-,17+/m0/s1
InChIKey
VDCIZKQRWVMECW-QRZFWQSQSA-N
Compound name
(2S,3R)-2-ethyl-3-[(2Z,5Z)-trideca-2,5-dienyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

250.22966 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.23694 165.1
[M+Na]+ 273.21888 171.6
[M-H]- 249.22238 169.2
[M+NH4]+ 268.26348 177.1
[M+K]+ 289.19282 167.9
[M+H-H2O]+ 233.22692 157.9
[M+HCOO]- 295.22786 185.5
[M+CH3COO]- 309.24351 201.3
[M+Na-2H]- 271.20433 167.6
[M]+ 250.22911 172.5
[M]- 250.23021 172.5
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