CID 155820451

Rac-(2r,3s)-3-(tert-butoxy)-2-methoxycyclobutan-1-one

Structural Information

Molecular Formula
C9H16O3
SMILES
CC(C)(C)O[C@H]1CC(=O)[C@@H]1OC
InChI
InChI=1S/C9H16O3/c1-9(2,3)12-7-5-6(10)8(7)11-4/h7-8H,5H2,1-4H3/t7-,8-/m0/s1
InChIKey
CMEJEUYAURRNRN-YUMQZZPRSA-N
Compound name
cis-(2R,3S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 134.1
[M+Na]+ 195.099158 140.8
[M-H]- 171.102664 138.1
[M+NH4]+ 190.143763 148.6
[M+K]+ 211.073098 144.0
[M+H-H2O]+ 155.107200 124.9
[M+HCOO]- 217.108141 154.6
[M+CH3COO]- 231.123791 184.6
[M+Na-2H]- 193.084606 139.0
[M]+ 172.10939142 146.0
[M]- 172.11048858 146.0
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.