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]+ 193.09898 136.2
[M+Na]+ 215.08092 143.9
[M-H]- 191.08442 140.1
[M+NH4]+ 210.12552 151.2
[M+K]+ 231.05486 144.9
[M+H-H2O]+ 175.08896 128.1
[M+HCOO]- 237.08990 152.1
[M+CH3COO]- 251.10555 187.3
[M+Na-2H]- 213.06637 140.9
[M]+ 192.09115 149.2
[M]- 192.09225 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.