CID 145913656

3-(dimethylamino)-2-hydroxy-2-(trifluoromethyl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C6H10F3NO3
SMILES
CN(C)CC(C(=O)O)(C(F)(F)F)O
InChI
InChI=1S/C6H10F3NO3/c1-10(2)3-5(13,4(11)12)6(7,8)9/h13H,3H2,1-2H3,(H,11,12)
InChIKey
RTRCYCMCMOCLCC-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.06128 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06856 137.0
[M+Na]+ 224.05050 143.7
[M-H]- 200.05400 132.4
[M+NH4]+ 219.09510 155.1
[M+K]+ 240.02444 143.9
[M+H-H2O]+ 184.05854 130.6
[M+HCOO]- 246.05948 153.0
[M+CH3COO]- 260.07513 184.5
[M+Na-2H]- 222.03595 141.3
[M]+ 201.06073 133.0
[M]- 201.06183 133.0
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.