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]+ 253.169916 158.3
[M+Na]+ 275.151858 162.9
[M-H]- 251.155364 165.8
[M+NH4]+ 270.196463 174.8
[M+K]+ 291.125798 157.9
[M+H-H2O]+ 235.159900 149.0
[M+HCOO]- 297.160841 180.8
[M+CH3COO]- 311.176491 169.5
[M+Na-2H]- 273.137306 162.3
[M]+ 252.16209142 154.0
[M]- 252.16318858 154.0
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.