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
3
Annotation Hits

0
References

40
Patents

142.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 129.6
[M+Na]+ 165.08860 142.2
[M+NH4]+ 160.13320 138.2
[M+K]+ 181.06254 138.0
[M-H]- 141.09210 138.5
[M+Na-2H]- 163.07405 136.6
[M]+ 142.09883 134.9
[M]- 142.09993 134.9
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