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]+ 157.122316 129.4
[M+Na]+ 179.104258 138.5
[M-H]- 155.107764 134.5
[M+NH4]+ 174.148863 148.9
[M+K]+ 195.078198 141.0
[M+H-H2O]+ 139.112300 123.2
[M+HCOO]- 201.113241 151.3
[M+CH3COO]- 215.128891 183.5
[M+Na-2H]- 177.089706 135.5
[M]+ 156.11449142 141.6
[M]- 156.11558858 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.