CID 1082702

N-(pyridin-3-ylmethyl)aniline

Structural Information

Molecular Formula
C12H12N2
SMILES
C1=CC=C(C=C1)NCC2=CN=CC=C2
InChI
InChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2
InChIKey
BJXLHKJBRORJJJ-UHFFFAOYSA-N
Compound name
N-(pyridin-3-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

73
Patents

184.10005 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.107326 138.4
[M+Na]+ 207.089268 145.1
[M-H]- 183.092774 143.4
[M+NH4]+ 202.133873 156.1
[M+K]+ 223.063208 141.3
[M+H-H2O]+ 167.097310 130.2
[M+HCOO]- 229.098251 163.2
[M+CH3COO]- 243.113901 151.3
[M+Na-2H]- 205.074716 148.2
[M]+ 184.09950142 136.5
[M]- 184.10059858 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