CID 112756270

1596752-15-6

Structural Information

Molecular Formula
C10H16FNO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(C(=O)O)F
InChI
InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-4-6(5-12)7(11)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKey
JHUOTBNUINIFDO-UHFFFAOYSA-N
Compound name
2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.10634 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11362 159.2
[M+Na]+ 256.09556 161.2
[M+NH4]+ 251.14016 159.2
[M+K]+ 272.06950 161.5
[M-H]- 232.09906 151.9
[M+Na-2H]- 254.08101 156.3
[M]+ 233.10579 155.7
[M]- 233.10689 155.7
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.