CID 44153717

74094-63-6

Structural Information

Molecular Formula
C12H22O2
SMILES
CC1COC(O1)C(C)CCC=C(C)C
InChI
InChI=1S/C12H22O2/c1-9(2)6-5-7-10(3)12-13-8-11(4)14-12/h6,10-12H,5,7-8H2,1-4H3
InChIKey
UVCDCGGGCGCIRU-UHFFFAOYSA-N
Compound name
4-methyl-2-(6-methylhept-5-en-2-yl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

34
Patents

198.16199 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.169266 150.9
[M+Na]+ 221.151208 155.8
[M-H]- 197.154714 154.9
[M+NH4]+ 216.195813 169.5
[M+K]+ 237.125148 156.8
[M+H-H2O]+ 181.159250 145.9
[M+HCOO]- 243.160191 169.0
[M+CH3COO]- 257.175841 186.7
[M+Na-2H]- 219.136656 152.0
[M]+ 198.16144142 152.1
[M]- 198.16253858 152.1
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

patents stripe