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 121.8
[M+Na]+ 151.07294 129.9
[M-H]- 127.07644 126.4
[M+NH4]+ 146.11754 140.0
[M+K]+ 167.04688 132.8
[M+H-H2O]+ 111.08098 114.1
[M+HCOO]- 173.08192 144.3
[M+CH3COO]- 187.09757 176.7
[M+Na-2H]- 149.05839 128.3
[M]+ 128.08317 132.5
[M]- 128.08427 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