CID 10591965

(3s,4r)-(6s,7r)-diepoxy-9z-heneicosene

Structural Information

Molecular Formula
C21H38O2
SMILES
CCCCCCCCCCC/C=C\C[C@H]1[C@H](O1)C[C@H]2[C@H](O2)CC
InChI
InChI=1S/C21H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-21(23-19)17-20-18(4-2)22-20/h14-15,18-21H,3-13,16-17H2,1-2H3/b15-14-/t18-,19+,20+,21-/m1/s1
InChIKey
QKTHTQIXAOUOKJ-ZAEWMMKISA-N
Compound name
(2R,3S)-2-ethyl-3-[[(2R,3S)-3-[(Z)-tetradec-2-enyl]oxiran-2-yl]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.28717 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.29445 186.3
[M+Na]+ 345.27639 190.9
[M-H]- 321.27989 193.3
[M+NH4]+ 340.32099 188.7
[M+K]+ 361.25033 189.1
[M+H-H2O]+ 305.28443 178.1
[M+HCOO]- 367.28537 201.7
[M+CH3COO]- 381.30102 220.8
[M+Na-2H]- 343.26184 185.9
[M]+ 322.28662 197.1
[M]- 322.28772 197.1
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.