CID 11804864

2,3-epoxyoctanal

Structural Information

Molecular Formula
C8H14O2
SMILES
CCCCC[C@H]1[C@@H](O1)C=O
InChI
InChI=1S/C8H14O2/c1-2-3-4-5-7-8(6-9)10-7/h6-8H,2-5H2,1H3/t7-,8-/m0/s1
InChIKey
YWFUECKBUFORTA-YUMQZZPRSA-N
Compound name
(2R,3S)-3-pentyloxirane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

25
Patents

142.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 131.2
[M+Na]+ 165.088598 140.9
[M-H]- 141.092104 136.7
[M+NH4]+ 160.133203 147.2
[M+K]+ 181.062538 140.2
[M+H-H2O]+ 125.096640 125.3
[M+HCOO]- 187.097581 154.3
[M+CH3COO]- 201.113231 179.3
[M+Na-2H]- 163.074046 138.2
[M]+ 142.09883142 137.5
[M]- 142.09992858 137.5
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