CID 56936241

6s,7r-epoxy-3z,9z-heptadecadiene

Structural Information

Molecular Formula
C17H30O
SMILES
CCCCCCC/C=C\C[C@@H]1[C@@H](O1)C/C=C\CC
InChI
InChI=1S/C17H30O/c1-3-5-7-8-9-10-11-13-15-17-16(18-17)14-12-6-4-2/h6,11-13,16-17H,3-5,7-10,14-15H2,1-2H3/b12-6-,13-11-/t16-,17+/m0/s1
InChIKey
IRQMBAZFZUBVIJ-ILIQPSMISA-N
Compound name
(2R,3S)-2-[(Z)-dec-2-enyl]-3-[(Z)-pent-2-enyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.22966 Da
Monoisotopic Mass

6.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.