CID 154733803

1823264-44-3

Structural Information

Molecular Formula
C16H20FNO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CC(=O)O)C2=CC(=CC=C2)F
InChI
InChI=1S/C16H20FNO4/c1-15(2,3)22-14(21)18-9-16(10-18,8-13(19)20)11-5-4-6-12(17)7-11/h4-7H,8-10H2,1-3H3,(H,19,20)
InChIKey
SMWDEKJGLQIVDO-UHFFFAOYSA-N
Compound name
2-[3-(3-fluorophenyl)-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

309.13763 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14491 173.8
[M+Na]+ 332.12685 178.8
[M-H]- 308.13035 176.3
[M+NH4]+ 327.17145 182.0
[M+K]+ 348.10079 179.9
[M+H-H2O]+ 292.13489 161.5
[M+HCOO]- 354.13583 187.9
[M+CH3COO]- 368.15148 204.5
[M+Na-2H]- 330.11230 174.9
[M]+ 309.13708 182.7
[M]- 309.13818 182.7
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.