CID 816925

2,4-diamino-6-methoxypyrimidine

Structural Information

Molecular Formula
C5H8N4O
SMILES
COC1=NC(=NC(=C1)N)N
InChI
InChI=1S/C5H8N4O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H4,6,7,8,9)
InChIKey
OSBMJXWHJWWZJP-UHFFFAOYSA-N
Compound name
6-methoxypyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

140.06981 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.07709 126.7
[M+Na]+ 163.05903 136.1
[M-H]- 139.06253 127.6
[M+NH4]+ 158.10363 145.0
[M+K]+ 179.03297 134.4
[M+H-H2O]+ 123.06707 119.5
[M+HCOO]- 185.06801 151.0
[M+CH3COO]- 199.08366 177.5
[M+Na-2H]- 161.04448 134.2
[M]+ 140.06926 124.9
[M]- 140.07036 124.9
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