CID 105506942

2-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-2-fluoroacetic acid

Structural Information

Molecular Formula
C11H18FNO4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C(C(=O)O)F
InChI
InChI=1S/C11H18FNO4/c1-11(2,3)17-10(16)13-5-4-7(6-13)8(12)9(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKey
ZTDXVQFLZHPSJK-UHFFFAOYSA-N
Compound name
2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 155.4
[M+Na]+ 270.11120 160.5
[M-H]- 246.11470 154.6
[M+NH4]+ 265.15580 172.3
[M+K]+ 286.08514 160.3
[M+H-H2O]+ 230.11924 149.2
[M+HCOO]- 292.12018 170.0
[M+CH3COO]- 306.13583 189.4
[M+Na-2H]- 268.09665 154.2
[M]+ 247.12143 153.5
[M]- 247.12253 153.5
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

patents stripe