CID 137935434

3-methoxy-3-(trifluoromethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C6H9F3O2
SMILES
COC1(CC(C1)O)C(F)(F)F
InChI
InChI=1S/C6H9F3O2/c1-11-5(6(7,8)9)2-4(10)3-5/h4,10H,2-3H2,1H3
InChIKey
ZUSCHVVOZUPLDD-UHFFFAOYSA-N
Compound name
3-methoxy-3-(trifluoromethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05547 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.062746 131.5
[M+Na]+ 193.044688 138.9
[M-H]- 169.048194 130.6
[M+NH4]+ 188.089293 147.0
[M+K]+ 209.018628 140.8
[M+H-H2O]+ 153.052730 121.4
[M+HCOO]- 215.053671 147.9
[M+CH3COO]- 229.069321 178.7
[M+Na-2H]- 191.030136 137.1
[M]+ 170.05492142 136.0
[M]- 170.05601858 136.0
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.