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
cis-(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]+ 173.153606 139.8
[M+Na]+ 195.135548 146.4
[M-H]- 171.139054 142.7
[M+NH4]+ 190.180153 155.8
[M+K]+ 211.109488 148.6
[M+H-H2O]+ 155.143590 132.3
[M+HCOO]- 217.144531 158.0
[M+CH3COO]- 231.160181 183.5
[M+Na-2H]- 193.120996 144.6
[M]+ 172.14578142 149.8
[M]- 172.14687858 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.