CID 12725130

2-(pyridin-3-ylmethyl)aniline dihydrochloride

Structural Information

Molecular Formula
C12H12N2
SMILES
C1=CC=C(C(=C1)CC2=CN=CC=C2)N
InChI
InChI=1S/C12H12N2/c13-12-6-2-1-5-11(12)8-10-4-3-7-14-9-10/h1-7,9H,8,13H2
InChIKey
LFWROEKDZROIEU-UHFFFAOYSA-N
Compound name
2-(pyridin-3-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

184.10005 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.107326 139.2
[M+Na]+ 207.089268 146.9
[M-H]- 183.092774 144.2
[M+NH4]+ 202.133873 157.0
[M+K]+ 223.063208 142.7
[M+H-H2O]+ 167.097310 131.3
[M+HCOO]- 229.098251 163.4
[M+CH3COO]- 243.113901 152.2
[M+Na-2H]- 205.074716 147.2
[M]+ 184.09950142 136.8
[M]- 184.10059858 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe