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
(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]+ 173.11722 134.1
[M+Na]+ 195.09916 140.8
[M-H]- 171.10266 138.1
[M+NH4]+ 190.14376 148.6
[M+K]+ 211.07310 144.0
[M+H-H2O]+ 155.10720 124.9
[M+HCOO]- 217.10814 154.6
[M+CH3COO]- 231.12379 184.6
[M+Na-2H]- 193.08461 139.0
[M]+ 172.10939 146.0
[M]- 172.11049 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.