CID 125515371

Rac-(3r,4r)-1-[(tert-butoxy)carbonyl]-4-[(1e)-prop-1-en-1-yl]pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H21NO4
SMILES
C/C=C/[C@@H]1CN(C[C@H]1C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO4/c1-5-6-9-7-14(8-10(9)11(15)16)12(17)18-13(2,3)4/h5-6,9-10H,7-8H2,1-4H3,(H,15,16)/b6-5+/t9-,10-/m1/s1
InChIKey
PTZDQRXQOFCXGD-GMCFVEKCSA-N
Compound name
(3S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-prop-1-enyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 160.4
[M+Na]+ 278.13628 166.3
[M-H]- 254.13978 161.0
[M+NH4]+ 273.18088 177.6
[M+K]+ 294.11022 164.9
[M+H-H2O]+ 238.14432 155.2
[M+HCOO]- 300.14526 176.6
[M+CH3COO]- 314.16091 191.5
[M+Na-2H]- 276.12173 159.4
[M]+ 255.14651 160.7
[M]- 255.14761 160.7
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.