CID 102194806

1426243-43-7

Structural Information

Molecular Formula
C6H8F3NO3
SMILES
C1C(CC1(C(F)(F)F)O)(C(=O)O)N
InChI
InChI=1S/C6H8F3NO3/c7-6(8,9)5(13)1-4(10,2-5)3(11)12/h13H,1-2,10H2,(H,11,12)
InChIKey
MULVSPGZPKTWQT-UHFFFAOYSA-N
Compound name
1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.04562 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05290 151.0
[M+Na]+ 222.03484 151.7
[M+NH4]+ 217.07944 153.4
[M+K]+ 238.00878 148.2
[M-H]- 198.03834 142.8
[M+Na-2H]- 220.02029 150.9
[M]+ 199.04507 147.3
[M]- 199.04617 147.3
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.