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

2
Patents

128.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 121.8
[M+Na]+ 151.072938 129.9
[M-H]- 127.076444 126.4
[M+NH4]+ 146.117543 140.0
[M+K]+ 167.046878 132.8
[M+H-H2O]+ 111.080980 114.1
[M+HCOO]- 173.081921 144.3
[M+CH3COO]- 187.097571 176.7
[M+Na-2H]- 149.058386 128.3
[M]+ 128.08317142 132.5
[M]- 128.08426858 132.5
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