CID 130029867

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

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1(C(C(C1=O)(C)C)OC)C
InChI
InChI=1S/C9H16O2/c1-8(2)6(10)9(3,4)7(8)11-5/h7H,1-5H3
InChIKey
BHALFEGPLBKGCD-UHFFFAOYSA-N
Compound name
3-methoxy-2,2,4,4-tetramethylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 129.4
[M+Na]+ 179.10426 138.5
[M-H]- 155.10776 134.5
[M+NH4]+ 174.14886 148.9
[M+K]+ 195.07820 141.0
[M+H-H2O]+ 139.11230 123.2
[M+HCOO]- 201.11324 151.3
[M+CH3COO]- 215.12889 183.5
[M+Na-2H]- 177.08971 135.5
[M]+ 156.11449 141.6
[M]- 156.11559 141.6
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.