CID 138046196

4-({[(tert-butoxy)carbonyl]amino}methyl)-3-fluoropyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H19FN2O4
SMILES
CC(C)(C)OC(=O)NCC1CNCC1(C(=O)O)F
InChI
InChI=1S/C11H19FN2O4/c1-10(2,3)18-9(17)14-5-7-4-13-6-11(7,12)8(15)16/h7,13H,4-6H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
WGPNHLMFUYSENG-UHFFFAOYSA-N
Compound name
3-fluoro-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13287 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14015 158.5
[M+Na]+ 285.12209 163.4
[M-H]- 261.12559 156.4
[M+NH4]+ 280.16669 175.9
[M+K]+ 301.09603 162.1
[M+H-H2O]+ 245.13013 153.1
[M+HCOO]- 307.13107 173.6
[M+CH3COO]- 321.14672 190.7
[M+Na-2H]- 283.10754 160.0
[M]+ 262.13232 154.9
[M]- 262.13342 154.9
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.