CID 6429218

2-methoxy-3,5-dimethylpyrazine

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC1=CN=C(C(=N1)C)OC
InChI
InChI=1S/C7H10N2O/c1-5-4-8-7(10-3)6(2)9-5/h4H,1-3H3
InChIKey
BXKLSVWRSUPMBO-UHFFFAOYSA-N
Compound name
2-methoxy-3,5-dimethylpyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

90
Patents

138.07932 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 126.2
[M+Na]+ 161.06854 136.5
[M-H]- 137.07204 127.9
[M+NH4]+ 156.11314 146.0
[M+K]+ 177.04248 135.4
[M+H-H2O]+ 121.07658 119.6
[M+HCOO]- 183.07752 149.1
[M+CH3COO]- 197.09317 175.0
[M+Na-2H]- 159.05399 134.3
[M]+ 138.07877 128.7
[M]- 138.07987 128.7
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