CID 15825667

Trans-4,5-epoxy-(e)-2-decenal

Structural Information

Molecular Formula
C10H16O2
SMILES
CCCCC[C@H]1[C@@H](O1)/C=C/C=O
InChI
InChI=1S/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3/b7-5+/t9-,10-/m0/s1
InChIKey
HIOMEXREAUSUBP-MLXLLJIISA-N
Compound name
(E)-3-[(2S,3S)-3-pentyloxiran-2-yl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

32
References

239
Patents

168.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 138.9
[M+Na]+ 191.104258 148.2
[M-H]- 167.107764 144.2
[M+NH4]+ 186.148863 153.9
[M+K]+ 207.078198 146.4
[M+H-H2O]+ 151.112300 132.8
[M+HCOO]- 213.113241 161.6
[M+CH3COO]- 227.128891 183.6
[M+Na-2H]- 189.089706 144.9
[M]+ 168.11449142 145.3
[M]- 168.11558858 145.3
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