CID 4068968

4-(3-methylphenyl)pyrimidine

Structural Information

Molecular Formula
C11H10N2
SMILES
CC1=CC(=CC=C1)C2=NC=NC=C2
InChI
InChI=1S/C11H10N2/c1-9-3-2-4-10(7-9)11-5-6-12-8-13-11/h2-8H,1H3
InChIKey
UWGWMSXXXGWLHI-UHFFFAOYSA-N
Compound name
4-(3-methylphenyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

170.0844 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.091676 134.9
[M+Na]+ 193.073618 143.9
[M-H]- 169.077124 139.1
[M+NH4]+ 188.118223 152.5
[M+K]+ 209.047558 140.3
[M+H-H2O]+ 153.081660 126.5
[M+HCOO]- 215.082601 157.6
[M+CH3COO]- 229.098251 148.4
[M+Na-2H]- 191.059066 144.1
[M]+ 170.08385142 134.3
[M]- 170.08494858 134.3
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