CID 2735370

263276-44-4

Structural Information

Molecular Formula
C11H11N3
SMILES
CC1=CC=C(C=C1)C2=NC(=NC=C2)N
InChI
InChI=1S/C11H11N3/c1-8-2-4-9(5-3-8)10-6-7-13-11(12)14-10/h2-7H,1H3,(H2,12,13,14)
InChIKey
SEAVIOKUWQLSPU-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

185.09529 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10257 139.9
[M+Na]+ 208.08451 149.0
[M-H]- 184.08801 144.0
[M+NH4]+ 203.12911 156.6
[M+K]+ 224.05845 144.9
[M+H-H2O]+ 168.09255 131.5
[M+HCOO]- 230.09349 163.1
[M+CH3COO]- 244.10914 152.9
[M+Na-2H]- 206.06996 147.7
[M]+ 185.09474 138.0
[M]- 185.09584 138.0
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