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]+ 230.128776 154.7
[M+Na]+ 252.110718 162.8
[M-H]- 228.114224 158.0
[M+NH4]+ 247.155323 170.3
[M+K]+ 268.084658 157.9
[M+H-H2O]+ 212.118760 140.2
[M+HCOO]- 274.119701 172.1
[M+CH3COO]- 288.135351 203.1
[M+Na-2H]- 250.096166 155.3
[M]+ 229.12095142 146.0
[M]- 229.12204858 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.