CID 12568828

2-methyl-3-phenylpyrazine

Structural Information

Molecular Formula
C11H10N2
SMILES
CC1=NC=CN=C1C2=CC=CC=C2
InChI
InChI=1S/C11H10N2/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
WNRHHXGQGRJTFX-UHFFFAOYSA-N
Compound name
2-methyl-3-phenylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

170.0844 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe