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

39
Patents

170.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 139.9
[M+Na]+ 193.11990 148.7
[M-H]- 169.12340 145.0
[M+NH4]+ 188.16450 154.8
[M+K]+ 209.09384 147.5
[M+H-H2O]+ 153.12794 133.6
[M+HCOO]- 215.12888 162.3
[M+CH3COO]- 229.14453 185.1
[M+Na-2H]- 191.10535 145.9
[M]+ 170.13013 146.9
[M]- 170.13123 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.