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]+ 214.068556 145.9
[M+Na]+ 236.050498 152.4
[M-H]- 212.054004 144.4
[M+NH4]+ 231.095103 160.6
[M+K]+ 252.024438 154.4
[M+H-H2O]+ 196.058540 136.1
[M+HCOO]- 258.059481 161.4
[M+CH3COO]- 272.075131 187.4
[M+Na-2H]- 234.035946 149.9
[M]+ 213.06073142 149.3
[M]- 213.06182858 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.