CID 379344

Nsc663891

Structural Information

Molecular Formula
C8H8N4O2
SMILES
CN1C(=O)C2=NC=CN=C2N=C1OC
InChI
InChI=1S/C8H8N4O2/c1-12-7(13)5-6(10-4-3-9-5)11-8(12)14-2/h3-4H,1-2H3
InChIKey
UFYWFIUNQLHSKU-UHFFFAOYSA-N
Compound name
2-methoxy-3-methylpteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06473 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07201 139.7
[M+Na]+ 215.05395 152.1
[M-H]- 191.05745 139.8
[M+NH4]+ 210.09855 155.4
[M+K]+ 231.02789 149.0
[M+H-H2O]+ 175.06199 131.0
[M+HCOO]- 237.06293 159.6
[M+CH3COO]- 251.07858 183.8
[M+Na-2H]- 213.03940 149.3
[M]+ 192.06418 143.3
[M]- 192.06528 143.3
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

No patent data available for this compound.