CID 344989

4-phenylbenzylamine

Structural Information

Molecular Formula
C13H13N
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C13H13N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKey
RMSPOVPGDBDYKH-UHFFFAOYSA-N
Compound name
(4-phenylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1562
Patents

183.1048 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11208 139.1
[M+Na]+ 206.09402 146.4
[M-H]- 182.09752 145.5
[M+NH4]+ 201.13862 158.4
[M+K]+ 222.06796 142.2
[M+H-H2O]+ 166.10206 132.2
[M+HCOO]- 228.10300 164.3
[M+CH3COO]- 242.11865 152.5
[M+Na-2H]- 204.07947 146.5
[M]+ 183.10425 136.6
[M]- 183.10535 136.6
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