CID 418965

3-amino-1,1,1-trifluoropropan-2-ol

Structural Information

Molecular Formula
C3H6F3NO
SMILES
C(C(C(F)(F)F)O)N
InChI
InChI=1S/C3H6F3NO/c4-3(5,6)2(8)1-7/h2,8H,1,7H2
InChIKey
RISHBQWFBUTROQ-UHFFFAOYSA-N
Compound name
3-amino-1,1,1-trifluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

843
Patents

129.04015 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.047426 120.5
[M+Na]+ 152.029368 128.0
[M-H]- 128.032874 115.4
[M+NH4]+ 147.073973 141.3
[M+K]+ 168.003308 127.3
[M+H-H2O]+ 112.037410 114.1
[M+HCOO]- 174.038351 138.7
[M+CH3COO]- 188.054001 170.3
[M+Na-2H]- 150.014816 125.3
[M]+ 129.03960142 113.3
[M]- 129.04069858 113.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe