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

literature stripe

Patent stripe

patents stripe