CID 24690825

2-amino-n-(2,2,2-trifluoroethyl)propanamide hydrochloride

Structural Information

Molecular Formula
C5H9F3N2O
SMILES
CC(C(=O)NCC(F)(F)F)N
InChI
InChI=1S/C5H9F3N2O/c1-3(9)4(11)10-2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11)
InChIKey
HUMQBXRKDQYSTI-UHFFFAOYSA-N
Compound name
2-amino-N-(2,2,2-trifluoroethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
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 132.1
[M+Na]+ 193.05592 138.5
[M-H]- 169.05942 128.2
[M+NH4]+ 188.10052 151.5
[M+K]+ 209.02986 138.0
[M+H-H2O]+ 153.06396 124.7
[M+HCOO]- 215.06490 151.3
[M+CH3COO]- 229.08055 183.2
[M+Na-2H]- 191.04137 135.3
[M]+ 170.06615 125.3
[M]- 170.06725 125.3
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

No patent data available for this compound.