CID 462456

N-benzylpyrimidin-2-amine

Structural Information

Molecular Formula
C11H11N3
SMILES
C1=CC=C(C=C1)CNC2=NC=CC=N2
InChI
InChI=1S/C11H11N3/c1-2-5-10(6-3-1)9-14-11-12-7-4-8-13-11/h1-8H,9H2,(H,12,13,14)
InChIKey
XLWNLCSWRLEMJR-UHFFFAOYSA-N
Compound name
N-benzylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

180
Patents

185.09529 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10257 138.4
[M+Na]+ 208.08451 145.6
[M-H]- 184.08801 142.1
[M+NH4]+ 203.12911 154.7
[M+K]+ 224.05845 141.7
[M+H-H2O]+ 168.09255 129.4
[M+HCOO]- 230.09349 162.2
[M+CH3COO]- 244.10914 151.0
[M+Na-2H]- 206.06996 148.9
[M]+ 185.09474 136.7
[M]- 185.09584 136.7
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