CID 137942800

2260936-81-8

Structural Information

Molecular Formula
C11H18FNO4
SMILES
CC(C)(C)OC(=O)NCC1(CC(C1)C(=O)O)F
InChI
InChI=1S/C11H18FNO4/c1-10(2,3)17-9(16)13-6-11(12)4-7(5-11)8(14)15/h7H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
FEZMFXSHIBGYOB-UHFFFAOYSA-N
Compound name
3-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12198 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12926 159.4
[M+Na]+ 270.11120 163.1
[M-H]- 246.11470 160.0
[M+NH4]+ 265.15580 171.0
[M+K]+ 286.08514 165.9
[M+H-H2O]+ 230.11924 149.1
[M+HCOO]- 292.12018 175.7
[M+CH3COO]- 306.13583 195.3
[M+Na-2H]- 268.09665 161.2
[M]+ 247.12143 167.1
[M]- 247.12253 167.1
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.