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

literature stripe

Patent stripe

patents stripe