CID 28897662

2-[(2,2,2-trifluoroethyl)amino]acetic acid hydrochloride

Structural Information

Molecular Formula
C4H6F3NO2
SMILES
C(C(=O)O)NCC(F)(F)F
InChI
InChI=1S/C4H6F3NO2/c5-4(6,7)2-8-1-3(9)10/h8H,1-2H2,(H,9,10)
InChIKey
ULINGFKOGLHDJP-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

157.03506 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04234 126.1
[M+Na]+ 180.02428 133.5
[M-H]- 156.02778 121.4
[M+NH4]+ 175.06888 145.9
[M+K]+ 195.99822 132.6
[M+H-H2O]+ 140.03232 119.4
[M+HCOO]- 202.03326 145.0
[M+CH3COO]- 216.04891 175.1
[M+Na-2H]- 178.00973 131.6
[M]+ 157.03451 121.0
[M]- 157.03561 121.0
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