CID 134163128

2167670-48-4

Structural Information

Molecular Formula
C9H16FNO4
SMILES
CC(C)(C)OC(=O)NCCC(C(=O)O)F
InChI
InChI=1S/C9H16FNO4/c1-9(2,3)15-8(14)11-5-4-6(10)7(12)13/h6H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
PCSNITIMCCDDPY-UHFFFAOYSA-N
Compound name
2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.10634 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11362 148.7
[M+Na]+ 244.09556 153.9
[M-H]- 220.09906 146.2
[M+NH4]+ 239.14016 166.1
[M+K]+ 260.06950 154.2
[M+H-H2O]+ 204.10360 143.0
[M+HCOO]- 266.10454 166.9
[M+CH3COO]- 280.12019 188.3
[M+Na-2H]- 242.08101 150.5
[M]+ 221.10579 148.9
[M]- 221.10689 148.9
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