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]+ 155.081506 130.3
[M+Na]+ 177.063448 139.9
[M-H]- 153.066954 130.6
[M+NH4]+ 172.108053 148.3
[M+K]+ 193.037388 133.9
[M+H-H2O]+ 137.071490 128.5
[M+HCOO]- 199.072431 152.5
[M+CH3COO]- 213.088081 167.2
[M+Na-2H]- 175.048896 139.8
[M]+ 154.07368142 130.4
[M]- 154.07477858 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