CID 154704205

1311203-16-3

Structural Information

Molecular Formula
C14H23F2NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1CCC(CC1)(F)F)C(=O)O
InChI
InChI=1S/C14H23F2NO4/c1-13(2,3)21-12(20)17-10(11(18)19)8-9-4-6-14(15,16)7-5-9/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19)/t10-/m0/s1
InChIKey
NFMRRHKGTCYRJK-JTQLQIEISA-N
Compound name
(2S)-3-(4,4-difluorocyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

307.15952 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16680 169.6
[M+Na]+ 330.14874 172.8
[M-H]- 306.15224 168.0
[M+NH4]+ 325.19334 185.2
[M+K]+ 346.12268 172.0
[M+H-H2O]+ 290.15678 163.2
[M+HCOO]- 352.15772 182.3
[M+CH3COO]- 366.17337 203.6
[M+Na-2H]- 328.13419 169.2
[M]+ 307.15897 164.6
[M]- 307.16007 164.6
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

patents stripe