CID 122164475

2-amino-2-(trifluoromethyl)propane-1,3-diol hydrochloride

Structural Information

Molecular Formula
C4H8F3NO2
SMILES
C(C(CO)(C(F)(F)F)N)O
InChI
InChI=1S/C4H8F3NO2/c5-4(6,7)3(8,1-9)2-10/h9-10H,1-2,8H2
InChIKey
XULJFPLUCAEYLN-UHFFFAOYSA-N
Compound name
2-amino-2-(trifluoromethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

159.05072 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05800 128.1
[M+Na]+ 182.03994 135.3
[M-H]- 158.04344 121.6
[M+NH4]+ 177.08454 147.0
[M+K]+ 198.01388 133.8
[M+H-H2O]+ 142.04798 122.0
[M+HCOO]- 204.04892 144.0
[M+CH3COO]- 218.06457 172.5
[M+Na-2H]- 180.02539 133.9
[M]+ 159.05017 120.8
[M]- 159.05127 120.8
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

patents stripe