CID 66367030

3-(tert-butoxy)-2,2-dimethylcyclobutan-1-one

Structural Information

Molecular Formula
C10H18O2
SMILES
CC1(C(CC1=O)OC(C)(C)C)C
InChI
InChI=1S/C10H18O2/c1-9(2,3)12-8-6-7(11)10(8,4)5/h8H,6H2,1-5H3
InChIKey
WGQVVEVCAZALFW-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 136.3
[M+Na]+ 193.119898 143.7
[M-H]- 169.123404 140.7
[M+NH4]+ 188.164503 153.1
[M+K]+ 209.093838 146.2
[M+H-H2O]+ 153.127940 128.8
[M+HCOO]- 215.128881 156.3
[M+CH3COO]- 229.144531 185.2
[M+Na-2H]- 191.105346 141.9
[M]+ 170.13013142 147.5
[M]- 170.13122858 147.5
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.