CID 154685448

2248401-50-3

Structural Information

Molecular Formula
C9H15F2NO4
SMILES
CC(C)(C)OC(=O)NC(C)(C(F)F)C(=O)O
InChI
InChI=1S/C9H15F2NO4/c1-8(2,3)16-7(15)12-9(4,5(10)11)6(13)14/h5H,1-4H3,(H,12,15)(H,13,14)
InChIKey
VXRNTACBEWCPSU-UHFFFAOYSA-N
Compound name
3,3-difluoro-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

239.09691 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10419 149.2
[M+Na]+ 262.08613 154.8
[M-H]- 238.08963 145.6
[M+NH4]+ 257.13073 165.9
[M+K]+ 278.06007 155.2
[M+H-H2O]+ 222.09417 143.3
[M+HCOO]- 284.09511 164.8
[M+CH3COO]- 298.11076 191.5
[M+Na-2H]- 260.07158 151.7
[M]+ 239.09636 147.6
[M]- 239.09746 147.6
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