CID 145899458

2402837-56-1

Structural Information

Molecular Formula
C7H10F3NO3
SMILES
COC1(CC(C1)(C(=O)O)N)C(F)(F)F
InChI
InChI=1S/C7H10F3NO3/c1-14-6(7(8,9)10)2-5(11,3-6)4(12)13/h2-3,11H2,1H3,(H,12,13)
InChIKey
LCHWGQDLUDYZCZ-UHFFFAOYSA-N
Compound name
1-amino-3-methoxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.06128 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06856 145.9
[M+Na]+ 236.05050 152.4
[M-H]- 212.05400 144.4
[M+NH4]+ 231.09510 160.6
[M+K]+ 252.02444 154.4
[M+H-H2O]+ 196.05854 136.1
[M+HCOO]- 258.05948 161.4
[M+CH3COO]- 272.07513 187.4
[M+Na-2H]- 234.03595 149.9
[M]+ 213.06073 149.3
[M]- 213.06183 149.3
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.