CID 165879624

2839139-88-5

Structural Information

Molecular Formula
C8H12F3NO2
SMILES
COC(=O)C1CCC(C1)(C(F)(F)F)N
InChI
InChI=1S/C8H12F3NO2/c1-14-6(13)5-2-3-7(12,4-5)8(9,10)11/h5H,2-4,12H2,1H3
InChIKey
YDLOOUVCHURULZ-UHFFFAOYSA-N
Compound name
methyl 3-amino-3-(trifluoromethyl)cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.08202 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08930 141.1
[M+Na]+ 234.07124 148.4
[M-H]- 210.07474 140.3
[M+NH4]+ 229.11584 163.1
[M+K]+ 250.04518 147.2
[M+H-H2O]+ 194.07928 134.7
[M+HCOO]- 256.08022 159.1
[M+CH3COO]- 270.09587 185.2
[M+Na-2H]- 232.05669 143.6
[M]+ 211.08147 134.6
[M]- 211.08257 134.6
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.