CID 15053890

3,3-dimethoxy-2,2,4,4-tetramethylcyclobutan-1-one

Structural Information

Molecular Formula
C10H18O3
SMILES
CC1(C(=O)C(C1(OC)OC)(C)C)C
InChI
InChI=1S/C10H18O3/c1-8(2)7(11)9(3,4)10(8,12-5)13-6/h1-6H3
InChIKey
CUOHVNZQJMQWCB-UHFFFAOYSA-N
Compound name
3,3-dimethoxy-2,2,4,4-tetramethylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.132876 135.3
[M+Na]+ 209.114818 144.6
[M-H]- 185.118324 140.6
[M+NH4]+ 204.159423 155.5
[M+K]+ 225.088758 147.5
[M+H-H2O]+ 169.122860 130.3
[M+HCOO]- 231.123801 156.9
[M+CH3COO]- 245.139451 188.3
[M+Na-2H]- 207.100266 142.3
[M]+ 186.12505142 149.7
[M]- 186.12614858 149.7
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.