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
4
Annotation Hits

0
References

44
Patents

198.16199 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 150.9
[M+Na]+ 221.15121 155.8
[M-H]- 197.15471 154.9
[M+NH4]+ 216.19581 169.5
[M+K]+ 237.12515 156.8
[M+H-H2O]+ 181.15925 145.9
[M+HCOO]- 243.16019 169.0
[M+CH3COO]- 257.17584 186.7
[M+Na-2H]- 219.13666 152.0
[M]+ 198.16144 152.1
[M]- 198.16254 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