CID 155858414

[1-methyl-3-(trifluoromethyl)cyclobutyl]methanol

Structural Information

Molecular Formula
C7H11F3O
SMILES
CC1(CC(C1)C(F)(F)F)CO
InChI
InChI=1S/C7H11F3O/c1-6(4-11)2-5(3-6)7(8,9)10/h5,11H,2-4H2,1H3
InChIKey
HVROQWCCLMUMHX-UHFFFAOYSA-N
Compound name
[1-methyl-3-(trifluoromethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0762 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08348 133.6
[M+Na]+ 191.06542 140.8
[M-H]- 167.06892 132.6
[M+NH4]+ 186.11002 149.3
[M+K]+ 207.03936 141.9
[M+H-H2O]+ 151.07346 123.6
[M+HCOO]- 213.07440 149.5
[M+CH3COO]- 227.09005 179.7
[M+Na-2H]- 189.05087 138.6
[M]+ 168.07565 137.0
[M]- 168.07675 137.0
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.