CID 137838580

2307739-46-2

Structural Information

Molecular Formula
C6H9F2NO2
SMILES
COC(=O)[C@@H]1[C@@H](C1(F)F)CN
InChI
InChI=1S/C6H9F2NO2/c1-11-5(10)4-3(2-9)6(4,7)8/h3-4H,2,9H2,1H3/t3-,4-/m0/s1
InChIKey
OYIFJSOOGJAEAW-IMJSIDKUSA-N
Compound name
methyl (1S,3R)-3-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.06013 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06741 126.9
[M+Na]+ 188.04935 137.7
[M-H]- 164.05285 129.5
[M+NH4]+ 183.09395 144.5
[M+K]+ 204.02329 136.1
[M+H-H2O]+ 148.05739 121.2
[M+HCOO]- 210.05833 148.6
[M+CH3COO]- 224.07398 183.6
[M+Na-2H]- 186.03480 131.5
[M]+ 165.05958 128.1
[M]- 165.06068 128.1
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.