CID 13433795

5,5-dimethoxypent-3-en-2-one

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(=O)/C=C/C(OC)OC
InChI
InChI=1S/C7H12O3/c1-6(8)4-5-7(9-2)10-3/h4-5,7H,1-3H3/b5-4+
InChIKey
RSTWITPJTXXNLJ-SNAWJCMRSA-N
Compound name
(E)-5,5-dimethoxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 129.7
[M+Na]+ 167.06786 136.8
[M-H]- 143.07136 130.1
[M+NH4]+ 162.11246 151.3
[M+K]+ 183.04180 137.5
[M+H-H2O]+ 127.07590 125.2
[M+HCOO]- 189.07684 152.4
[M+CH3COO]- 203.09249 175.3
[M+Na-2H]- 165.05331 133.9
[M]+ 144.07809 133.1
[M]- 144.07919 133.1
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

No patent data available for this compound.