CID 83831591

2361736-66-3

Structural Information

Molecular Formula
C7H12F3NO2
SMILES
CC(CC(=O)O)(C(F)(F)F)N(C)C
InChI
InChI=1S/C7H12F3NO2/c1-6(11(2)3,4-5(12)13)7(8,9)10/h4H2,1-3H3,(H,12,13)
InChIKey
YGBHPSRKHCMHTD-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08202 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08930 138.4
[M+Na]+ 222.07124 145.3
[M-H]- 198.07474 135.1
[M+NH4]+ 217.11584 157.4
[M+K]+ 238.04518 145.6
[M+H-H2O]+ 182.07928 131.8
[M+HCOO]- 244.08022 155.4
[M+CH3COO]- 258.09587 188.1
[M+Na-2H]- 220.05669 142.6
[M]+ 199.08147 135.3
[M]- 199.08257 135.3
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.