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 153.9
[M+Na]+ 256.09556 158.1
[M-H]- 232.09906 153.2
[M+NH4]+ 251.14016 163.2
[M+K]+ 272.06950 161.2
[M+H-H2O]+ 216.10360 142.1
[M+HCOO]- 278.10454 167.6
[M+CH3COO]- 292.12019 191.4
[M+Na-2H]- 254.08101 153.7
[M]+ 233.10579 161.7
[M]- 233.10689 161.7
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.