CID 53440576

3-methoxy-2,2-dimethylcyclobutan-1-one

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1(C(CC1=O)OC)C
InChI
InChI=1S/C7H12O2/c1-7(2)5(8)4-6(7)9-3/h6H,4H2,1-3H3
InChIKey
OJYREKZWVYDWKO-UHFFFAOYSA-N
Compound name
3-methoxy-2,2-dimethylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

128.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.3
[M+Na]+ 151.07294 132.3
[M+NH4]+ 146.11754 131.2
[M+K]+ 167.04688 127.3
[M-H]- 127.07644 123.7
[M+Na-2H]- 149.05839 129.1
[M]+ 128.08317 124.8
[M]- 128.08427 124.8
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

patents stripe