CID 24229559

4-pyrimidin-2-ylbenzylamine

Structural Information

Molecular Formula
C11H11N3
SMILES
C1=CN=C(N=C1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C11H11N3/c12-8-9-2-4-10(5-3-9)11-13-6-1-7-14-11/h1-7H,8,12H2
InChIKey
NCQYEJBFHRMHKN-UHFFFAOYSA-N
Compound name
(4-pyrimidin-2-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

40
Patents

185.09529 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10257 139.4
[M+Na]+ 208.08451 147.6
[M-H]- 184.08801 143.1
[M+NH4]+ 203.12911 155.8
[M+K]+ 224.05845 143.4
[M+H-H2O]+ 168.09255 130.8
[M+HCOO]- 230.09349 162.6
[M+CH3COO]- 244.10914 152.1
[M+Na-2H]- 206.06996 148.1
[M]+ 185.09474 137.2
[M]- 185.09584 137.2
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