CID 3068148

83056-59-1

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC1=CN=C(C=[N+]1[O-])COC
InChI
InChI=1S/C7H10N2O2/c1-6-3-8-7(5-11-2)4-9(6)10/h3-4H,5H2,1-2H3
InChIKey
KKKHJYGCTVKQEM-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-2-methyl-1-oxidopyrazin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

154.07423 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 129.1
[M+Na]+ 177.06345 144.4
[M+NH4]+ 172.10805 137.4
[M+K]+ 193.03739 140.3
[M-H]- 153.06695 131.2
[M+Na-2H]- 175.04890 136.1
[M]+ 154.07368 131.8
[M]- 154.07478 131.8
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