CID 155858890

2580103-08-6

Structural Information

Molecular Formula
C9H18O3
SMILES
CC(C)(C)O[C@@H]1C[C@H]([C@H]1OC)O
InChI
InChI=1S/C9H18O3/c1-9(2,3)12-7-5-6(10)8(7)11-4/h6-8,10H,5H2,1-4H3/t6-,7-,8-/m1/s1
InChIKey
WMHLHIOAMWBYDE-BWZBUEFSSA-N
Compound name
(1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.1256 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 137.3
[M+Na]+ 197.114818 143.2
[M-H]- 173.118324 139.8
[M+NH4]+ 192.159423 151.1
[M+K]+ 213.088758 146.2
[M+H-H2O]+ 157.122860 128.1
[M+HCOO]- 219.123801 156.0
[M+CH3COO]- 233.139451 183.0
[M+Na-2H]- 195.100266 141.5
[M]+ 174.12505142 148.0
[M]- 174.12614858 148.0
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.