CID 122239982

2098007-41-9

Structural Information

Molecular Formula
C11H18FNO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)CC(C(=O)O)F
InChI
InChI=1S/C11H18FNO4/c1-11(2,3)17-10(16)13-5-7(6-13)4-8(12)9(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKey
ZGRUYFLGGVTSHQ-UHFFFAOYSA-N
Compound name
2-fluoro-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12198 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12926 158.7
[M+Na]+ 270.11120 162.4
[M-H]- 246.11470 157.8
[M+NH4]+ 265.15580 167.4
[M+K]+ 286.08514 165.3
[M+H-H2O]+ 230.11924 146.7
[M+HCOO]- 292.12018 172.0
[M+CH3COO]- 306.13583 194.3
[M+Na-2H]- 268.09665 157.9
[M]+ 247.12143 166.8
[M]- 247.12253 166.8
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.