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]+ 158.04234 126.6
[M+Na]+ 180.02428 133.8
[M-H]- 156.02778 121.4
[M+NH4]+ 175.06888 146.1
[M+K]+ 195.99822 133.1
[M+H-H2O]+ 140.03232 120.0
[M+HCOO]- 202.03326 143.9
[M+CH3COO]- 216.04891 175.3
[M+Na-2H]- 178.00973 129.7
[M]+ 157.03451 119.8
[M]- 157.03561 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

No patent data available for this compound.