CID 106676154

1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol

Structural Information

Molecular Formula
C7H13F3O2
SMILES
CC(C)(CC(C(F)(F)F)O)OC
InChI
InChI=1S/C7H13F3O2/c1-6(2,12-3)4-5(11)7(8,9)10/h5,11H,4H2,1-3H3
InChIKey
WXAGRFLIMGGIMX-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.08676 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09404 137.0
[M+Na]+ 209.07598 144.2
[M-H]- 185.07948 132.2
[M+NH4]+ 204.12058 156.3
[M+K]+ 225.04992 143.8
[M+H-H2O]+ 169.08402 130.9
[M+HCOO]- 231.08496 152.2
[M+CH3COO]- 245.10061 180.8
[M+Na-2H]- 207.06143 141.6
[M]+ 186.08621 134.1
[M]- 186.08731 134.1
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.