CID 13105158

78609-31-1

Structural Information

Molecular Formula
C8H14FNO4
SMILES
CC(C)(C)OC(=O)NC(CF)C(=O)O
InChI
InChI=1S/C8H14FNO4/c1-8(2,3)14-7(13)10-5(4-9)6(11)12/h5H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKey
PQTDAIHXUZZXQM-UHFFFAOYSA-N
Compound name
3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

207.09068 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.097956 144.0
[M+Na]+ 230.079898 149.6
[M-H]- 206.083404 141.7
[M+NH4]+ 225.124503 162.0
[M+K]+ 246.053838 150.1
[M+H-H2O]+ 190.087940 138.5
[M+HCOO]- 252.088881 162.6
[M+CH3COO]- 266.104531 185.3
[M+Na-2H]- 228.065346 146.4
[M]+ 207.09013142 143.8
[M]- 207.09122858 143.8
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