CID 18538483

1-n-cbz-pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H15NO4
SMILES
C1CN(CC1C(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H15NO4/c15-12(16)11-6-7-14(8-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKey
JSASVUTVTRNJHA-UHFFFAOYSA-N
Compound name
1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

249.10011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.107386 155.7
[M+Na]+ 272.089328 160.9
[M-H]- 248.092834 159.4
[M+NH4]+ 267.133933 172.1
[M+K]+ 288.063268 159.0
[M+H-H2O]+ 232.097370 148.3
[M+HCOO]- 294.098311 174.8
[M+CH3COO]- 308.113961 187.8
[M+Na-2H]- 270.074776 156.4
[M]+ 249.09956142 154.3
[M]- 249.10065858 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe