CID 168023731

2748220-52-0

Structural Information

Molecular Formula
C11H20FNO4
SMILES
CC(C)(C)OC(=O)NC(C)(C)CC(C(=O)O)F
InChI
InChI=1S/C11H20FNO4/c1-10(2,3)17-9(16)13-11(4,5)6-7(12)8(14)15/h7H,6H2,1-5H3,(H,13,16)(H,14,15)
InChIKey
JHYIHEBULJWGGI-UHFFFAOYSA-N
Compound name
2-fluoro-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13763 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14491 156.0
[M+Na]+ 272.12685 160.7
[M-H]- 248.13035 153.4
[M+NH4]+ 267.17145 172.3
[M+K]+ 288.10079 161.1
[M+H-H2O]+ 232.13489 150.7
[M+HCOO]- 294.13583 172.0
[M+CH3COO]- 308.15148 194.7
[M+Na-2H]- 270.11230 158.0
[M]+ 249.13708 156.4
[M]- 249.13818 156.4
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.