CID 2736934

3-methyl-5-phenylpyridazine

Structural Information

Molecular Formula
C11H10N2
SMILES
CC1=CC(=CN=N1)C2=CC=CC=C2
InChI
InChI=1S/C11H10N2/c1-9-7-11(8-12-13-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
RHDKJUGNFHWPKN-UHFFFAOYSA-N
Compound name
3-methyl-5-phenylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

31
Patents

170.0844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09168 134.9
[M+Na]+ 193.07362 143.9
[M-H]- 169.07712 139.1
[M+NH4]+ 188.11822 152.5
[M+K]+ 209.04756 140.3
[M+H-H2O]+ 153.08166 126.5
[M+HCOO]- 215.08260 157.6
[M+CH3COO]- 229.09825 148.4
[M+Na-2H]- 191.05907 144.1
[M]+ 170.08385 134.3
[M]- 170.08495 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

literature stripe

Patent stripe

patents stripe