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]+ 175.13288 137.3
[M+Na]+ 197.11482 143.2
[M-H]- 173.11832 139.8
[M+NH4]+ 192.15942 151.1
[M+K]+ 213.08876 146.2
[M+H-H2O]+ 157.12286 128.1
[M+HCOO]- 219.12380 156.0
[M+CH3COO]- 233.13945 183.0
[M+Na-2H]- 195.10027 141.5
[M]+ 174.12505 148.0
[M]- 174.12615 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.