CID 2761832

Boc-(r)-alpha-(4-fluorobenzyl)-pro-oh

Structural Information

Molecular Formula
C17H22FNO4
SMILES
CC(C)(C)OC(=O)N1CCC[C@@]1(CC2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C17H22FNO4/c1-16(2,3)23-15(22)19-10-4-9-17(19,14(20)21)11-12-5-7-13(18)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKey
AWTXCFLBYUGCEW-QGZVFWFLSA-N
Compound name
(2R)-2-[(4-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

323.1533 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.16058 174.7
[M+Na]+ 346.14252 180.6
[M-H]- 322.14602 177.3
[M+NH4]+ 341.18712 190.6
[M+K]+ 362.11646 178.2
[M+H-H2O]+ 306.15056 167.8
[M+HCOO]- 368.15150 189.8
[M+CH3COO]- 382.16715 202.8
[M+Na-2H]- 344.12797 174.7
[M]+ 323.15275 173.9
[M]- 323.15385 173.9
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

patents stripe