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 143.0
[M+Na]+ 222.03484 149.5
[M-H]- 198.03834 140.2
[M+NH4]+ 217.07944 157.5
[M+K]+ 238.00878 150.8
[M+H-H2O]+ 182.04288 133.5
[M+HCOO]- 244.04382 157.3
[M+CH3COO]- 258.05947 182.2
[M+Na-2H]- 220.02029 146.8
[M]+ 199.04507 144.2
[M]- 199.04617 144.2
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.