CID 4141645

4-(3-methylphenyl)-2-pyrimidinamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

No literature data available for this compound.

Patent stripe

patents stripe