CID 15708145

6r,7s-epoxy-9z-nonadecene

Structural Information

Molecular Formula
C19H36O
SMILES
CCCCCCCCC/C=C\C[C@H]1[C@H](O1)CCCCC
InChI
InChI=1S/C19H36O/c1-3-5-7-8-9-10-11-12-13-15-17-19-18(20-19)16-14-6-4-2/h13,15,18-19H,3-12,14,16-17H2,1-2H3/b15-13-/t18-,19+/m1/s1
InChIKey
OFKABGGYCLPLTM-MSODLAMBSA-N
Compound name
(2S,3R)-2-[(Z)-dodec-2-enyl]-3-pentyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.2766 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.28388 174.5
[M+Na]+ 303.26582 179.8
[M-H]- 279.26932 178.1
[M+NH4]+ 298.31042 185.3
[M+K]+ 319.23976 176.1
[M+H-H2O]+ 263.27386 166.8
[M+HCOO]- 325.27480 194.0
[M+CH3COO]- 339.29045 208.5
[M+Na-2H]- 301.25127 176.0
[M]+ 280.27605 183.3
[M]- 280.27715 183.3
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.