CID 56936246

2-methyl-7r,8s-epoxy-17-octadecene

Structural Information

Molecular Formula
C19H36O
SMILES
CC(C)CCCC[C@@H]1[C@@H](O1)CCCCCCCCC=C
InChI
InChI=1S/C19H36O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h4,17-19H,1,5-16H2,2-3H3/t18-,19+/m0/s1
InChIKey
VEHBXHNRALNERE-RBUKOAKNSA-N
Compound name
(2S,3R)-2-dec-9-enyl-3-(5-methylhexyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

280.2766 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.28388 174.3
[M+Na]+ 303.26582 179.3
[M-H]- 279.26932 177.9
[M+NH4]+ 298.31042 185.0
[M+K]+ 319.23976 176.0
[M+H-H2O]+ 263.27386 166.7
[M+HCOO]- 325.27480 192.9
[M+CH3COO]- 339.29045 209.8
[M+Na-2H]- 301.25127 174.6
[M]+ 280.27605 182.6
[M]- 280.27715 182.6
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