CID 102141

4-ethoxypent-3-en-2-one

Structural Information

Molecular Formula
C7H12O2
SMILES
CCOC(=CC(=O)C)C
InChI
InChI=1S/C7H12O2/c1-4-9-7(3)5-6(2)8/h5H,4H2,1-3H3
InChIKey
QYEVFNRONKBUNY-UHFFFAOYSA-N
Compound name
4-ethoxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

128.08372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 126.7
[M+Na]+ 151.072938 133.8
[M-H]- 127.076444 127.2
[M+NH4]+ 146.117543 149.0
[M+K]+ 167.046878 134.1
[M+H-H2O]+ 111.080980 122.5
[M+HCOO]- 173.081921 149.2
[M+CH3COO]- 187.097571 173.3
[M+Na-2H]- 149.058386 131.0
[M]+ 128.08317142 128.6
[M]- 128.08426858 128.6
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.