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

29
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

literature stripe

Patent stripe

patents stripe