CID 12628892

N-benzyl 2-aminobenzylamine

Structural Information

Molecular Formula
C14H16N2
SMILES
C1=CC=C(C=C1)CNCC2=CC=CC=C2N
InChI
InChI=1S/C14H16N2/c15-14-9-5-4-8-13(14)11-16-10-12-6-2-1-3-7-12/h1-9,16H,10-11,15H2
InChIKey
FTSXPJFPSSHMFW-UHFFFAOYSA-N
Compound name
2-[(benzylamino)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

212.13135 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 147.1
[M+Na]+ 235.120568 153.0
[M-H]- 211.124074 153.1
[M+NH4]+ 230.165173 164.7
[M+K]+ 251.094508 148.5
[M+H-H2O]+ 195.128610 139.4
[M+HCOO]- 257.129551 172.9
[M+CH3COO]- 271.145201 192.3
[M+Na-2H]- 233.106016 154.3
[M]+ 212.13080142 144.2
[M]- 212.13189858 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe