CID 2782221

2-(aminomethyl)-3,3,3-trifluoropropanoic acid hydrochloride

Structural Information

Molecular Formula
C4H6F3NO2
SMILES
C(C(C(=O)O)C(F)(F)F)N
InChI
InChI=1S/C4H6F3NO2/c5-4(6,7)2(1-8)3(9)10/h2H,1,8H2,(H,9,10)
InChIKey
JTVNVXKFDGVLJA-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3,3,3-trifluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

157.03506 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.042336 126.6
[M+Na]+ 180.024278 133.8
[M-H]- 156.027784 121.4
[M+NH4]+ 175.068883 146.1
[M+K]+ 195.998218 133.1
[M+H-H2O]+ 140.032320 120.0
[M+HCOO]- 202.033261 143.9
[M+CH3COO]- 216.048911 175.3
[M+Na-2H]- 178.009726 129.7
[M]+ 157.03451142 119.8
[M]- 157.03560858 119.8
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