CID 121553220

Rac-(1r,3s)-3-(tert-butoxy)-2,2-dimethylcyclobutan-1-ol

Structural Information

Molecular Formula
C10H20O2
SMILES
CC1([C@H](C[C@H]1OC(C)(C)C)O)C
InChI
InChI=1S/C10H20O2/c1-9(2,3)12-8-6-7(11)10(8,4)5/h7-8,11H,6H2,1-5H3/t7-,8+/m0/s1
InChIKey
JVPMKBOSVPHPGQ-JGVFFNPUSA-N
Compound name
(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 139.8
[M+Na]+ 195.13555 146.4
[M-H]- 171.13905 142.7
[M+NH4]+ 190.18015 155.8
[M+K]+ 211.10949 148.6
[M+H-H2O]+ 155.14359 132.3
[M+HCOO]- 217.14453 158.0
[M+CH3COO]- 231.16018 183.5
[M+Na-2H]- 193.12100 144.6
[M]+ 172.14578 149.8
[M]- 172.14688 149.8
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.