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]+ 171.13796 136.3
[M+Na]+ 193.11990 143.7
[M-H]- 169.12340 140.7
[M+NH4]+ 188.16450 153.1
[M+K]+ 209.09384 146.2
[M+H-H2O]+ 153.12794 128.8
[M+HCOO]- 215.12888 156.3
[M+CH3COO]- 229.14453 185.2
[M+Na-2H]- 191.10535 141.9
[M]+ 170.13013 147.5
[M]- 170.13123 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.