CID 45080263

2-ethoxypyrimidin-5-amine

Structural Information

Molecular Formula
C6H9N3O
SMILES
CCOC1=NC=C(C=N1)N
InChI
InChI=1S/C6H9N3O/c1-2-10-6-8-3-5(7)4-9-6/h3-4H,2,7H2,1H3
InChIKey
KPNZINMQYGYLCI-UHFFFAOYSA-N
Compound name
2-ethoxypyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

139.07455 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 126.8
[M+Na]+ 162.063768 135.6
[M-H]- 138.067274 127.6
[M+NH4]+ 157.108373 145.5
[M+K]+ 178.037708 134.2
[M+H-H2O]+ 122.071810 119.6
[M+HCOO]- 184.072751 150.4
[M+CH3COO]- 198.088401 174.9
[M+Na-2H]- 160.049216 135.3
[M]+ 139.07400142 126.7
[M]- 139.07509858 126.7
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