CID 3043692

Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl-

Structural Information

Molecular Formula
C9H14O3
SMILES
CC(=CC(=O)CC1OCCO1)C
InChI
InChI=1S/C9H14O3/c1-7(2)5-8(10)6-9-11-3-4-12-9/h5,9H,3-4,6H2,1-2H3
InChIKey
XFMQMJJSHVGNBG-UHFFFAOYSA-N
Compound name
1-(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

170.0943 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 138.9
[M+Na]+ 193.08352 144.3
[M-H]- 169.08702 143.0
[M+NH4]+ 188.12812 158.1
[M+K]+ 209.05746 145.9
[M+H-H2O]+ 153.09156 134.0
[M+HCOO]- 215.09250 158.4
[M+CH3COO]- 229.10815 177.7
[M+Na-2H]- 191.06897 142.3
[M]+ 170.09375 139.3
[M]- 170.09485 139.3
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.