CID 15880597

3-methoxypyrazine-2-carbaldehyde

Structural Information

Molecular Formula
C6H6N2O2
SMILES
COC1=NC=CN=C1C=O
InChI
InChI=1S/C6H6N2O2/c1-10-6-5(4-9)7-2-3-8-6/h2-4H,1H3
InChIKey
PWNNCWQBJSXORO-UHFFFAOYSA-N
Compound name
3-methoxypyrazine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

138.04292 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05020 123.7
[M+Na]+ 161.03214 133.7
[M-H]- 137.03564 125.1
[M+NH4]+ 156.07674 142.9
[M+K]+ 177.00608 132.7
[M+H-H2O]+ 121.04018 116.8
[M+HCOO]- 183.04112 147.3
[M+CH3COO]- 197.05677 171.9
[M+Na-2H]- 159.01759 133.0
[M]+ 138.04237 126.1
[M]- 138.04347 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

No literature data available for this compound.

Patent stripe

patents stripe