CID 122163831

1909293-62-4

Structural Information

Molecular Formula
C6H8F3NO2
SMILES
COC(=O)[C@]1(C[C@H]1C(F)(F)F)N
InChI
InChI=1S/C6H8F3NO2/c1-12-4(11)5(10)2-3(5)6(7,8)9/h3H,2,10H2,1H3/t3-,5-/m1/s1
InChIKey
YCXQXNNGBFIGHN-NQXXGFSBSA-N
Compound name
methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05072 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05800 128.6
[M+Na]+ 206.03994 138.9
[M-H]- 182.04344 129.7
[M+NH4]+ 201.08454 145.3
[M+K]+ 222.01388 137.4
[M+H-H2O]+ 166.04798 122.3
[M+HCOO]- 228.04892 147.8
[M+CH3COO]- 242.06457 184.8
[M+Na-2H]- 204.02539 134.1
[M]+ 183.05017 127.6
[M]- 183.05127 127.6
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.