CID 13932051

1-methoxy-3-methylene-2-pentanone

Structural Information

Molecular Formula
C7H12O2
SMILES
CCC(=C)C(=O)COC
InChI
InChI=1S/C7H12O2/c1-4-6(2)7(8)5-9-3/h2,4-5H2,1,3H3
InChIKey
PEPJPZZZBHWOCM-UHFFFAOYSA-N
Compound name
1-methoxy-3-methylidenepentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 126.6
[M+Na]+ 151.07294 133.6
[M-H]- 127.07644 127.0
[M+NH4]+ 146.11754 148.7
[M+K]+ 167.04688 133.8
[M+H-H2O]+ 111.08098 122.2
[M+HCOO]- 173.08192 149.0
[M+CH3COO]- 187.09757 174.0
[M+Na-2H]- 149.05839 130.8
[M]+ 128.08317 128.5
[M]- 128.08427 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.