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]+ 129.09100 122.6
[M+Na]+ 151.07294 129.9
[M-H]- 127.07644 126.8
[M+NH4]+ 146.11754 140.6
[M+K]+ 167.04688 132.7
[M+H-H2O]+ 111.08098 114.6
[M+HCOO]- 173.08192 145.2
[M+CH3COO]- 187.09757 175.6
[M+Na-2H]- 149.05839 129.7
[M]+ 128.08317 133.0
[M]- 128.08427 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.