CID 13815410

3-(methoxymethyl)-3-methylcyclobutan-1-one

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1(CC(=O)C1)COC
InChI
InChI=1S/C7H12O2/c1-7(5-9-2)3-6(8)4-7/h3-5H2,1-2H3
InChIKey
PTKXJLINIAAOFG-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-3-methylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 122.6
[M+Na]+ 151.072938 129.9
[M-H]- 127.076444 126.8
[M+NH4]+ 146.117543 140.6
[M+K]+ 167.046878 132.7
[M+H-H2O]+ 111.080980 114.6
[M+HCOO]- 173.081921 145.2
[M+CH3COO]- 187.097571 175.6
[M+Na-2H]- 149.058386 129.7
[M]+ 128.08317142 133.0
[M]- 128.08426858 133.0
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.