CID 17750155

115687-29-1

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1CN(CC1C(=O)N)CC2=CC=CC=C2
InChI
InChI=1S/C12H16N2O/c13-12(15)11-6-7-14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,15)
InChIKey
HNAGHMKIPMKKBB-UHFFFAOYSA-N
Compound name
1-benzylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54675
Patents

204.12627 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 146.5
[M+Na]+ 227.11549 151.9
[M-H]- 203.11899 150.9
[M+NH4]+ 222.16009 165.0
[M+K]+ 243.08943 148.9
[M+H-H2O]+ 187.12353 138.8
[M+HCOO]- 249.12447 168.0
[M+CH3COO]- 263.14012 186.6
[M+Na-2H]- 225.10094 148.6
[M]+ 204.12572 142.1
[M]- 204.12682 142.1
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