CID 43183679

1-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C13H15N3O
SMILES
C1CC(N(C1)CC2=CC=CC=C2C#N)C(=O)N
InChI
InChI=1S/C13H15N3O/c14-8-10-4-1-2-5-11(10)9-16-7-3-6-12(16)13(15)17/h1-2,4-5,12H,3,6-7,9H2,(H2,15,17)
InChIKey
YSNZQEINUOQUDU-UHFFFAOYSA-N
Compound name
1-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12878 154.7
[M+Na]+ 252.11072 162.8
[M-H]- 228.11422 158.0
[M+NH4]+ 247.15532 170.3
[M+K]+ 268.08466 157.9
[M+H-H2O]+ 212.11876 140.2
[M+HCOO]- 274.11970 172.1
[M+CH3COO]- 288.13535 203.1
[M+Na-2H]- 250.09617 155.3
[M]+ 229.12095 146.0
[M]- 229.12205 146.0
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

No patent data available for this compound.