CID 11447561

620601-77-6

Structural Information

Molecular Formula
C13H14N2O2
SMILES
C1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)C#N
InChI
InChI=1S/C13H14N2O2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-8,10H2/t12-/m1/s1
InChIKey
AUVGQGIWVNDVSL-GFCCVEGCSA-N
Compound name
benzyl (2R)-2-cyanopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

230.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 154.8
[M+Na]+ 253.09475 165.3
[M+NH4]+ 248.13935 158.9
[M+K]+ 269.06869 157.6
[M-H]- 229.09825 149.5
[M+Na-2H]- 251.08020 158.0
[M]+ 230.10498 153.8
[M]- 230.10608 153.8
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