CID 121553827

3-amino-4,4,4-trifluorobutan-2-ol

Structural Information

Molecular Formula
C4H8F3NO
SMILES
CC(C(C(F)(F)F)N)O
InChI
InChI=1S/C4H8F3NO/c1-2(9)3(8)4(5,6)7/h2-3,9H,8H2,1H3
InChIKey
MAINWOGXJHYRLE-UHFFFAOYSA-N
Compound name
3-amino-4,4,4-trifluorobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

143.0558 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.063076 125.3
[M+Na]+ 166.045018 132.2
[M-H]- 142.048524 120.2
[M+NH4]+ 161.089623 145.5
[M+K]+ 182.018958 131.7
[M+H-H2O]+ 126.053060 118.8
[M+HCOO]- 188.054001 142.2
[M+CH3COO]- 202.069651 174.2
[M+Na-2H]- 164.030466 128.3
[M]+ 143.05525142 117.8
[M]- 143.05634858 117.8
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