CID 66028

N-benzylaniline

Structural Information

Molecular Formula
C13H13N
SMILES
C1=CC=C(C=C1)CNC2=CC=CC=C2
InChI
InChI=1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKey
GTWJETSWSUWSEJ-UHFFFAOYSA-N
Compound name
N-benzylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

11766
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 138.5
[M+Na]+ 206.09402 144.8
[M-H]- 182.09752 144.9
[M+NH4]+ 201.13862 157.6
[M+K]+ 222.06796 140.9
[M+H-H2O]+ 166.10206 131.3
[M+HCOO]- 228.10300 164.3
[M+CH3COO]- 242.11865 151.7
[M+Na-2H]- 204.07947 147.7
[M]+ 183.10425 136.5
[M]- 183.10535 136.5
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