CID 135416532

6-methylpterin

Structural Information

Molecular Formula
C7H7N5O
SMILES
CC1=CN=C2C(=N1)C(=O)NC(=N2)N
InChI
InChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H,1H3,(H3,8,9,11,12,13)
InChIKey
UDOGNMDURIJYQC-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

666
Patents

177.06506 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.072336 137.7
[M+Na]+ 200.054278 149.5
[M-H]- 176.057784 136.2
[M+NH4]+ 195.098883 152.8
[M+K]+ 216.028218 144.7
[M+H-H2O]+ 160.062320 129.6
[M+HCOO]- 222.063261 156.7
[M+CH3COO]- 236.078911 150.0
[M+Na-2H]- 198.039726 146.9
[M]+ 177.06451142 136.2
[M]- 177.06560858 136.2
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