CID 11672680

2-chloro-3,5-dimethylpyrazine

Structural Information

Molecular Formula
C6H7ClN2
SMILES
CC1=CN=C(C(=N1)C)Cl
InChI
InChI=1S/C6H7ClN2/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3
InChIKey
BTGGHNHGPURMEO-UHFFFAOYSA-N
Compound name
2-chloro-3,5-dimethylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

402
Patents

142.02977 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03705 123.7
[M+Na]+ 165.01899 135.1
[M-H]- 141.02249 125.2
[M+NH4]+ 160.06359 144.1
[M+K]+ 180.99293 131.9
[M+H-H2O]+ 125.02703 117.9
[M+HCOO]- 187.02797 142.0
[M+CH3COO]- 201.04362 173.8
[M+Na-2H]- 163.00444 131.9
[M]+ 142.02922 126.1
[M]- 142.03032 126.1
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