CID 18467

2-methoxypyrazine

Structural Information

Molecular Formula
C5H6N2O
SMILES
COC1=NC=CN=C1
InChI
InChI=1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
InChIKey
WKSXRWSOSLGSTN-UHFFFAOYSA-N
Compound name
2-methoxypyrazine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

2336
Patents

110.04801 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 117.5
[M+Na]+ 133.03723 126.7
[M-H]- 109.04073 118.7
[M+NH4]+ 128.08183 137.7
[M+K]+ 149.01117 126.2
[M+H-H2O]+ 93.045270 110.7
[M+HCOO]- 155.04621 141.1
[M+CH3COO]- 169.06186 166.7
[M+Na-2H]- 131.02268 128.1
[M]+ 110.04746 118.5
[M]- 110.04856 118.5
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