CID 167714343

Rac-(1r,2s,3s)-1-(tert-butoxy)-3-chloro-2-methoxycyclobutane

Structural Information

Molecular Formula
C9H17ClO2
SMILES
CC(C)(C)O[C@@H]1C[C@@H]([C@H]1OC)Cl
InChI
InChI=1S/C9H17ClO2/c1-9(2,3)12-7-5-6(10)8(7)11-4/h6-8H,5H2,1-4H3/t6-,7+,8+/m0/s1
InChIKey
CUDPMFXVPRITGN-XLPZGREQSA-N
Compound name
(1S,2S,3R)-1-chloro-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0917 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.098976 136.2
[M+Na]+ 215.080918 143.9
[M-H]- 191.084424 140.1
[M+NH4]+ 210.125523 151.2
[M+K]+ 231.054858 144.9
[M+H-H2O]+ 175.088960 128.1
[M+HCOO]- 237.089901 152.1
[M+CH3COO]- 251.105551 187.3
[M+Na-2H]- 213.066366 140.9
[M]+ 192.09115142 149.2
[M]- 192.09224858 149.2
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.