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

14
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 130.3
[M+Na]+ 177.06345 139.9
[M-H]- 153.06695 130.6
[M+NH4]+ 172.10805 148.3
[M+K]+ 193.03739 133.9
[M+H-H2O]+ 137.07149 128.5
[M+HCOO]- 199.07243 152.5
[M+CH3COO]- 213.08808 167.2
[M+Na-2H]- 175.04890 139.8
[M]+ 154.07368 130.4
[M]- 154.07478 130.4
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