CID 54595115

2-amino-n-methyl-n-(2,2,2-trifluoroethyl)acetamide hydrochloride

Structural Information

Molecular Formula
C5H9F3N2O
SMILES
CN(CC(F)(F)F)C(=O)CN
InChI
InChI=1S/C5H9F3N2O/c1-10(4(11)2-9)3-5(6,7)8/h2-3,9H2,1H3
InChIKey
BPFYDKVLXKQPMD-UHFFFAOYSA-N
Compound name
2-amino-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.0667 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07398 131.7
[M+Na]+ 193.05592 138.5
[M-H]- 169.05942 129.2
[M+NH4]+ 188.10052 151.9
[M+K]+ 209.02986 139.0
[M+H-H2O]+ 153.06396 124.1
[M+HCOO]- 215.06490 152.5
[M+CH3COO]- 229.08055 185.8
[M+Na-2H]- 191.04137 135.5
[M]+ 170.06615 126.8
[M]- 170.06725 126.8
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