CID 10931830

2r3r-epoxyneral

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(=CCC[C@@]1([C@@H](O1)C=O)C)C
InChI
InChI=1S/C10H16O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,7,9H,4,6H2,1-3H3/t9-,10+/m0/s1
InChIKey
KXDDDNKGVUBFQS-VHSXEESVSA-N
Compound name
(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

168.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 137.8
[M+Na]+ 191.10426 147.4
[M-H]- 167.10776 143.5
[M+NH4]+ 186.14886 154.6
[M+K]+ 207.07820 147.0
[M+H-H2O]+ 151.11230 133.1
[M+HCOO]- 213.11324 159.1
[M+CH3COO]- 227.12889 183.9
[M+Na-2H]- 189.08971 143.8
[M]+ 168.11449 143.9
[M]- 168.11559 143.9
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.