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

65
Patents

230.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 152.7
[M+Na]+ 253.094748 161.1
[M-H]- 229.098254 156.3
[M+NH4]+ 248.139353 168.7
[M+K]+ 269.068688 156.7
[M+H-H2O]+ 213.102790 138.2
[M+HCOO]- 275.103731 170.1
[M+CH3COO]- 289.119381 198.9
[M+Na-2H]- 251.080196 154.7
[M]+ 230.10498142 146.4
[M]- 230.10607858 146.4
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