CID 14983719

2,4-diamino-5-methoxymethylpyrimidine

Structural Information

Molecular Formula
C6H10N4O
SMILES
COCC1=CN=C(N=C1N)N
InChI
InChI=1S/C6H10N4O/c1-11-3-4-2-9-6(8)10-5(4)7/h2H,3H2,1H3,(H4,7,8,9,10)
InChIKey
MICPTYSZVFPCLL-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

154.08546 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 131.1
[M+Na]+ 177.07468 140.1
[M-H]- 153.07818 131.9
[M+NH4]+ 172.11928 148.9
[M+K]+ 193.04862 138.2
[M+H-H2O]+ 137.08272 123.8
[M+HCOO]- 199.08366 155.1
[M+CH3COO]- 213.09931 180.5
[M+Na-2H]- 175.06013 138.2
[M]+ 154.08491 129.7
[M]- 154.08601 129.7
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