CID 22367232

1,1,1-trifluoro-3-(methylamino)propan-2-ol

Structural Information

Molecular Formula
C4H8F3NO
SMILES
CNCC(C(F)(F)F)O
InChI
InChI=1S/C4H8F3NO/c1-8-2-3(9)4(5,6)7/h3,8-9H,2H2,1H3
InChIKey
KUWNPQGEOONMLR-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3-(methylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

143.0558 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06308 124.8
[M+Na]+ 166.04502 131.9
[M-H]- 142.04852 120.1
[M+NH4]+ 161.08962 145.3
[M+K]+ 182.01896 131.3
[M+H-H2O]+ 126.05306 118.2
[M+HCOO]- 188.05400 143.3
[M+CH3COO]- 202.06965 174.0
[M+Na-2H]- 164.03047 130.2
[M]+ 143.05525 119.0
[M]- 143.05635 119.0
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

patents stripe