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

166
Patents

248.11609 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.6
[M+Na]+ 271.10531 161.4
[M-H]- 247.10881 161.0
[M+NH4]+ 266.14991 173.1
[M+K]+ 287.07925 159.3
[M+H-H2O]+ 231.11335 148.6
[M+HCOO]- 293.11429 177.4
[M+CH3COO]- 307.12994 192.5
[M+Na-2H]- 269.09076 157.1
[M]+ 248.11554 153.9
[M]- 248.11664 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