CID 165606748

2306246-93-3

Structural Information

Molecular Formula
C10H17F2NO2
SMILES
COC(=O)[C@@H](CC1CCC(CC1)(F)F)N
InChI
InChI=1S/C10H17F2NO2/c1-15-9(14)8(13)6-7-2-4-10(11,12)5-3-7/h7-8H,2-6,13H2,1H3/t8-/m1/s1
InChIKey
XEVWWKZHDROVTG-MRVPVSSYSA-N
Compound name
methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.12274 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.13002 148.9
[M+Na]+ 244.11196 153.7
[M-H]- 220.11546 148.6
[M+NH4]+ 239.15656 168.4
[M+K]+ 260.08590 152.6
[M+H-H2O]+ 204.12000 142.1
[M+HCOO]- 266.12094 165.6
[M+CH3COO]- 280.13659 190.0
[M+Na-2H]- 242.09741 149.6
[M]+ 221.12219 142.2
[M]- 221.12329 142.2
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.