CID 254916

6-methylpteridine-2,4-diamine

Structural Information

Molecular Formula
C7H8N6
SMILES
CC1=CN=C2C(=N1)C(=NC(=N2)N)N
InChI
InChI=1S/C7H8N6/c1-3-2-10-6-4(11-3)5(8)12-7(9)13-6/h2H,1H3,(H4,8,9,10,12,13)
InChIKey
MFNAKLLYSPINFZ-UHFFFAOYSA-N
Compound name
6-methylpteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

80
Patents

176.08104 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08832 138.6
[M+Na]+ 199.07026 149.9
[M-H]- 175.07376 138.0
[M+NH4]+ 194.11486 154.0
[M+K]+ 215.04420 145.7
[M+H-H2O]+ 159.07830 130.1
[M+HCOO]- 221.07924 159.2
[M+CH3COO]- 235.09489 150.9
[M+Na-2H]- 197.05571 147.9
[M]+ 176.08049 136.6
[M]- 176.08159 136.6
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.