CID 131515415

3,3-dimethoxy-2,2-dimethylcyclobutan-1-one

Structural Information

Molecular Formula
C8H14O3
SMILES
CC1(C(=O)CC1(OC)OC)C
InChI
InChI=1S/C8H14O3/c1-7(2)6(9)5-8(7,10-3)11-4/h5H2,1-4H3
InChIKey
ZKOWJRHSFUZRID-UHFFFAOYSA-N
Compound name
3,3-dimethoxy-2,2-dimethylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 132.8
[M+Na]+ 181.08352 139.2
[M+NH4]+ 176.12812 139.3
[M+K]+ 197.05746 133.0
[M-H]- 157.08702 130.6
[M+Na-2H]- 179.06897 137.4
[M]+ 158.09375 132.1
[M]- 158.09485 132.1
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.