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

14
Patents

207.10709 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11437 144.3
[M+Na]+ 230.09631 149.6
[M-H]- 206.09981 144.2
[M+NH4]+ 225.14091 164.4
[M+K]+ 246.07025 148.7
[M+H-H2O]+ 190.10435 137.7
[M+HCOO]- 252.10529 161.4
[M+CH3COO]- 266.12094 187.0
[M+Na-2H]- 228.08176 145.6
[M]+ 207.10654 137.3
[M]- 207.10764 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