CID 56936248

6,7-epoxy-9z-octadecene

Structural Information

Molecular Formula
C18H34O
SMILES
CCCCCCCC/C=C\CC1C(O1)CCCCC
InChI
InChI=1S/C18H34O/c1-3-5-7-8-9-10-11-12-14-16-18-17(19-18)15-13-6-4-2/h12,14,17-18H,3-11,13,15-16H2,1-2H3/b14-12-
InChIKey
COQRQSCRFMSUDY-OWBHPGMISA-N
Compound name
2-pentyl-3-[(Z)-undec-2-enyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.26096 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.26824 170.3
[M+Na]+ 289.25018 176.0
[M-H]- 265.25368 174.1
[M+NH4]+ 284.29478 181.7
[M+K]+ 305.22412 172.6
[M+H-H2O]+ 249.25822 162.8
[M+HCOO]- 311.25916 190.1
[M+CH3COO]- 325.27481 205.6
[M+Na-2H]- 287.23563 172.3
[M]+ 266.26041 178.8
[M]- 266.26151 178.8
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.