CID 3016500

2-ethyl-5-(methoxymethyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C8H13N3O
SMILES
CCC1=NC=C(C(=N1)N)COC
InChI
InChI=1S/C8H13N3O/c1-3-7-10-4-6(5-12-2)8(9)11-7/h4H,3,5H2,1-2H3,(H2,9,10,11)
InChIKey
GGTLWUZUPFXLAI-UHFFFAOYSA-N
Compound name
2-ethyl-5-(methoxymethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

167.10587 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 136.1
[M+Na]+ 190.095088 145.0
[M-H]- 166.098594 137.0
[M+NH4]+ 185.139693 154.0
[M+K]+ 206.069028 143.1
[M+H-H2O]+ 150.103130 128.7
[M+HCOO]- 212.104071 159.0
[M+CH3COO]- 226.119721 182.1
[M+Na-2H]- 188.080536 142.7
[M]+ 167.10532142 137.1
[M]- 167.10641858 137.1
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

patents stripe