CID 10858

N-benzylideneaniline

Structural Information

Molecular Formula
C13H11N
SMILES
C1=CC=C(C=C1)C=NC2=CC=CC=C2
InChI
InChI=1S/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H
InChIKey
UVEWQKMPXAHFST-UHFFFAOYSA-N
Compound name
N,1-diphenylmethanimine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

43
References

5769
Patents

181.08914 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.096416 137.4
[M+Na]+ 204.078358 144.5
[M-H]- 180.081864 145.3
[M+NH4]+ 199.122963 157.4
[M+K]+ 220.052298 141.1
[M+H-H2O]+ 164.086400 130.0
[M+HCOO]- 226.087341 165.0
[M+CH3COO]- 240.102991 185.1
[M+Na-2H]- 202.063806 147.0
[M]+ 181.08859142 136.5
[M]- 181.08968858 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