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]+ 212.089296 141.1
[M+Na]+ 234.071238 148.4
[M-H]- 210.074744 140.3
[M+NH4]+ 229.115843 163.1
[M+K]+ 250.045178 147.2
[M+H-H2O]+ 194.079280 134.7
[M+HCOO]- 256.080221 159.1
[M+CH3COO]- 270.095871 185.2
[M+Na-2H]- 232.056686 143.6
[M]+ 211.08147142 134.6
[M]- 211.08256858 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.