CID 21016992

2411193-09-2

Structural Information

Molecular Formula
C9H15F2NO2
SMILES
COC(=O)C(C1CCC(CC1)(F)F)N
InChI
InChI=1S/C9H15F2NO2/c1-14-8(13)7(12)6-2-4-9(10,11)5-3-6/h6-7H,2-5,12H2,1H3
InChIKey
QORDREFHKFOQOC-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(4,4-difluorocyclohexyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

207.10709 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.114366 144.3
[M+Na]+ 230.096308 149.6
[M-H]- 206.099814 144.2
[M+NH4]+ 225.140913 164.4
[M+K]+ 246.070248 148.7
[M+H-H2O]+ 190.104350 137.7
[M+HCOO]- 252.105291 161.4
[M+CH3COO]- 266.120941 187.0
[M+Na-2H]- 228.081756 145.6
[M]+ 207.10654142 137.3
[M]- 207.10763858 137.3
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

patents stripe