CID 71587390

2,3-epoxydecanal

Structural Information

Molecular Formula
C10H18O2
SMILES
CCCCCCC[C@H]1[C@@H](O1)C=O
InChI
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-9-10(8-11)12-9/h8-10H,2-7H2,1H3/t9-,10-/m0/s1
InChIKey
ZAYNCWQGQVRPDV-UWVGGRQHSA-N
Compound name
(2R,3S)-3-heptyloxirane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

31
Patents

170.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 139.9
[M+Na]+ 193.119898 148.7
[M-H]- 169.123404 145.0
[M+NH4]+ 188.164503 154.8
[M+K]+ 209.093838 147.5
[M+H-H2O]+ 153.127940 133.6
[M+HCOO]- 215.128881 162.3
[M+CH3COO]- 229.144531 185.1
[M+Na-2H]- 191.105346 145.9
[M]+ 170.13013142 146.9
[M]- 170.13122858 146.9
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.