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]+ 187.13288 135.3
[M+Na]+ 209.11482 144.6
[M-H]- 185.11832 140.6
[M+NH4]+ 204.15942 155.5
[M+K]+ 225.08876 147.5
[M+H-H2O]+ 169.12286 130.3
[M+HCOO]- 231.12380 156.9
[M+CH3COO]- 245.13945 188.3
[M+Na-2H]- 207.10027 142.3
[M]+ 186.12505 149.7
[M]- 186.12615 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.