CID 72218536

1393529-90-2

Structural Information

Molecular Formula
C8H13F2NO4
SMILES
CC(C)(C)OC(=O)NC(C(F)F)C(=O)O
InChI
InChI=1S/C8H13F2NO4/c1-8(2,3)15-7(14)11-4(5(9)10)6(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKey
RBBANSRZYXHAHO-UHFFFAOYSA-N
Compound name
3,3-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.08127 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08855 146.0
[M+Na]+ 248.07049 151.4
[M-H]- 224.07399 142.3
[M+NH4]+ 243.11509 163.1
[M+K]+ 264.04443 152.1
[M+H-H2O]+ 208.07853 139.7
[M+HCOO]- 270.07947 162.5
[M+CH3COO]- 284.09512 189.0
[M+Na-2H]- 246.05594 146.6
[M]+ 225.08072 143.9
[M]- 225.08182 143.9
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

No patent data available for this compound.