CID 119805

2-benzylaniline

Structural Information

Molecular Formula
C13H13N
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2N
InChI
InChI=1S/C13H13N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10,14H2
InChIKey
DWOBGCPUQNFAFB-UHFFFAOYSA-N
Compound name
2-benzylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1013
Patents

183.1048 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11208 140.5
[M+Na]+ 206.09402 155.6
[M+NH4]+ 201.13862 150.8
[M+K]+ 222.06796 146.8
[M-H]- 182.09752 146.9
[M+Na-2H]- 204.07947 151.6
[M]+ 183.10425 144.6
[M]- 183.10535 144.6
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