CID 6950960

Z-l-prolinamide

Structural Information

Molecular Formula
C13H16N2O3
SMILES
C1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C13H16N2O3/c14-12(16)11-7-4-8-15(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,14,16)/t11-/m1/s1
InChIKey
ZCGHEBMEQXMRQL-LLVKDONJSA-N
Compound name
benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

248.11609 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.123366 156.6
[M+Na]+ 271.105308 161.4
[M-H]- 247.108814 161.0
[M+NH4]+ 266.149913 173.1
[M+K]+ 287.079248 159.3
[M+H-H2O]+ 231.113350 148.6
[M+HCOO]- 293.114291 177.4
[M+CH3COO]- 307.129941 192.5
[M+Na-2H]- 269.090756 157.1
[M]+ 248.11554142 153.9
[M]- 248.11663858 153.9
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