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]+ 200.089296 138.4
[M+Na]+ 222.071238 145.3
[M-H]- 198.074744 135.1
[M+NH4]+ 217.115843 157.4
[M+K]+ 238.045178 145.6
[M+H-H2O]+ 182.079280 131.8
[M+HCOO]- 244.080221 155.4
[M+CH3COO]- 258.095871 188.1
[M+Na-2H]- 220.056686 142.6
[M]+ 199.08147142 135.3
[M]- 199.08256858 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.