CID 100778

1-(p-anilinobenzyl)pyrrolidine

Structural Information

Molecular Formula
C17H20N2
SMILES
C1CCN(C1)CC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C17H20N2/c1-2-6-16(7-3-1)18-17-10-8-15(9-11-17)14-19-12-4-5-13-19/h1-3,6-11,18H,4-5,12-14H2
InChIKey
XFPQVMRICFKJKF-UHFFFAOYSA-N
Compound name
N-phenyl-4-(pyrrolidin-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.16264 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 161.8
[M+Na]+ 275.15186 175.2
[M+NH4]+ 270.19646 171.4
[M+K]+ 291.12580 167.7
[M-H]- 251.15536 168.8
[M+Na-2H]- 273.13731 172.2
[M]+ 252.16209 165.7
[M]- 252.16319 165.7
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.