CID 66149

73-66-5

Structural Information

Molecular Formula
C8H13N3O
SMILES
CCOCC1=CN=C(N=C1N)C
InChI
InChI=1S/C8H13N3O/c1-3-12-5-7-4-10-6(2)11-8(7)9/h4H,3,5H2,1-2H3,(H2,9,10,11)
InChIKey
KEYFHYRXUHGMLW-UHFFFAOYSA-N
Compound name
5-(ethoxymethyl)-2-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
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

literature stripe

Patent stripe

patents stripe