CID 1987732

N-(3-hydroxypropyl)trifluoroacetamide

Structural Information

Molecular Formula
C5H8F3NO2
SMILES
C(CNC(=O)C(F)(F)F)CO
InChI
InChI=1S/C5H8F3NO2/c6-5(7,8)4(11)9-2-1-3-10/h10H,1-3H2,(H,9,11)
InChIKey
LOTWHTFZRDJSCL-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

123
Patents

171.05072 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05800 131.0
[M+Na]+ 194.03994 138.0
[M-H]- 170.04344 126.1
[M+NH4]+ 189.08454 150.3
[M+K]+ 210.01388 137.0
[M+H-H2O]+ 154.04798 124.1
[M+HCOO]- 216.04892 149.6
[M+CH3COO]- 230.06457 177.4
[M+Na-2H]- 192.02539 135.9
[M]+ 171.05017 126.3
[M]- 171.05127 126.3
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