CID 155937834

2580100-36-1

Structural Information

Molecular Formula
C10H16FNO6
SMILES
CC(C)(C)OC(=O)N[C@@H](C[C@H](C(=O)O)F)C(=O)O
InChI
InChI=1S/C10H16FNO6/c1-10(2,3)18-9(17)12-6(8(15)16)4-5(11)7(13)14/h5-6H,4H2,1-3H3,(H,12,17)(H,13,14)(H,15,16)/t5-,6+/m1/s1
InChIKey
VOXIPQVKXGUPBN-RITPCOANSA-N
Compound name
(2R,4S)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09616 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10344 156.0
[M+Na]+ 288.08538 159.9
[M-H]- 264.08888 151.9
[M+NH4]+ 283.12998 170.4
[M+K]+ 304.05932 160.8
[M+H-H2O]+ 248.09342 150.2
[M+HCOO]- 310.09436 171.0
[M+CH3COO]- 324.11001 194.3
[M+Na-2H]- 286.07083 154.8
[M]+ 265.09561 155.5
[M]- 265.09671 155.5
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.