CID 71356492

5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enal

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(=CC=O)CCC1C(O1)(C)C
InChI
InChI=1S/C10H16O2/c1-8(6-7-11)4-5-9-10(2,3)12-9/h6-7,9H,4-5H2,1-3H3
InChIKey
VZUZJYDKCIVBDN-UHFFFAOYSA-N
Compound name
5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

168.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 137.8
[M+Na]+ 191.104258 147.4
[M-H]- 167.107764 143.5
[M+NH4]+ 186.148863 154.6
[M+K]+ 207.078198 147.0
[M+H-H2O]+ 151.112300 133.1
[M+HCOO]- 213.113241 159.1
[M+CH3COO]- 227.128891 183.9
[M+Na-2H]- 189.089706 143.8
[M]+ 168.11449142 143.9
[M]- 168.11558858 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.