CID 56828427

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

Structural Information

Molecular Formula
C6H11F3O2
SMILES
CC(CCOC)(C(F)(F)F)O
InChI
InChI=1S/C6H11F3O2/c1-5(10,3-4-11-2)6(7,8)9/h10H,3-4H2,1-2H3
InChIKey
XRKHOTDQNSSCMK-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-4-methoxy-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07112 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07840 132.8
[M+Na]+ 195.06034 140.7
[M-H]- 171.06384 128.1
[M+NH4]+ 190.10494 152.7
[M+K]+ 211.03428 140.0
[M+H-H2O]+ 155.06838 126.8
[M+HCOO]- 217.06932 149.3
[M+CH3COO]- 231.08497 176.9
[M+Na-2H]- 193.04579 139.1
[M]+ 172.07057 130.2
[M]- 172.07167 130.2
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.