CID 6475697

10-{(1e)-2-[3-((2z)but-2-enyl)oxiran-2-yl]vinyl}oxecan-2-one

Structural Information

Molecular Formula
C17H26O3
SMILES
C/C=C\C[C@H]1[C@@H](O1)/C=C/C2CCCCCCCC(=O)O2
InChI
InChI=1S/C17H26O3/c1-2-3-10-15-16(20-15)13-12-14-9-7-5-4-6-8-11-17(18)19-14/h2-3,12-16H,4-11H2,1H3/b3-2-,13-12+/t14?,15-,16-/m0/s1
InChIKey
GZOVEAYCLREFFJ-KLPVWXQVSA-N
Compound name
10-[(E)-2-[(2S,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.1882 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19548 161.4
[M+Na]+ 301.17742 166.7
[M-H]- 277.18092 166.5
[M+NH4]+ 296.22202 168.0
[M+K]+ 317.15136 166.7
[M+H-H2O]+ 261.18546 157.8
[M+HCOO]- 323.18640 177.1
[M+CH3COO]- 337.20205 197.0
[M+Na-2H]- 299.16287 163.0
[M]+ 278.18765 159.8
[M]- 278.18875 159.8
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

No patent data available for this compound.