CID 3043693

56055-64-2

Structural Information

Molecular Formula
C11H18O3
SMILES
CC1C(OC(O1)CC(=O)C=C(C)C)C
InChI
InChI=1S/C11H18O3/c1-7(2)5-10(12)6-11-13-8(3)9(4)14-11/h5,8-9,11H,6H2,1-4H3
InChIKey
XBPRXMCEBRMNPD-UHFFFAOYSA-N
Compound name
1-(4,5-dimethyl-1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 146.0
[M+Na]+ 221.11482 155.2
[M+NH4]+ 216.15942 152.8
[M+K]+ 237.08876 153.4
[M-H]- 197.11832 148.3
[M+Na-2H]- 219.10027 146.9
[M]+ 198.12505 147.7
[M]- 198.12615 147.7
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.