CID 3021835

Pyrrolidine, 1-(n-phenylglycyl)-

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1CCN(C1)C(=O)CNC2=CC=CC=C2
InChI
InChI=1S/C12H16N2O/c15-12(14-8-4-5-9-14)10-13-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2
InChIKey
HGPHYGLUMJMKAI-UHFFFAOYSA-N
Compound name
2-anilino-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 148.0
[M+Na]+ 227.11549 158.1
[M+NH4]+ 222.16009 156.2
[M+K]+ 243.08943 153.4
[M-H]- 203.11899 151.2
[M+Na-2H]- 225.10094 154.8
[M]+ 204.12572 150.0
[M]- 204.12682 150.0
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

patents stripe