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

8
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

literature stripe

Patent stripe

patents stripe