CID 3085845

Einecs 276-848-2

Structural Information

Molecular Formula
C8H11N2O
SMILES
CC1=C[N+](=CC(=N1)C)C(=O)C
InChI
InChI=1S/C8H11N2O/c1-6-4-10(8(3)11)5-7(2)9-6/h4-5H,1-3H3/q+1
InChIKey
SRLOIFIDNDAVFM-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylpyrazin-1-ium-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

151.08714 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.09442 129.8
[M+Na]+ 174.07636 139.7
[M-H]- 150.07986 131.9
[M+NH4]+ 169.12096 148.8
[M+K]+ 190.05030 132.9
[M+H-H2O]+ 134.08440 126.1
[M+HCOO]- 196.08534 151.4
[M+CH3COO]- 210.10099 170.4
[M+Na-2H]- 172.06181 138.5
[M]+ 151.08659 129.9
[M]- 151.08769 129.9
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