CID 135422471

14684-54-9

Structural Information

Molecular Formula
C8H8N4O
SMILES
CC1=C(N=C2C(=N1)C(=O)NC=N2)C
InChI
InChI=1S/C8H8N4O/c1-4-5(2)12-7-6(11-4)8(13)10-3-9-7/h3H,1-2H3,(H,9,10,12,13)
InChIKey
YZZHLQUXFAOLAA-UHFFFAOYSA-N
Compound name
6,7-dimethyl-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

176.06981 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 137.7
[M+Na]+ 199.05903 149.9
[M-H]- 175.06253 136.4
[M+NH4]+ 194.10363 153.4
[M+K]+ 215.03297 145.3
[M+H-H2O]+ 159.06707 129.6
[M+HCOO]- 221.06801 155.9
[M+CH3COO]- 235.08366 150.3
[M+Na-2H]- 197.04448 146.8
[M]+ 176.06926 138.1
[M]- 176.07036 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe