CID 58684057

2413875-15-5

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1=CN=C(N=C1)OCCN
InChI
InChI=1S/C6H9N3O/c7-2-5-10-6-8-3-1-4-9-6/h1,3-4H,2,5,7H2
InChIKey
OUOPDDNPXZHMDY-UHFFFAOYSA-N
Compound name
2-pyrimidin-2-yloxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

139.07455 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 126.5
[M+Na]+ 162.063768 134.3
[M-H]- 138.067274 126.9
[M+NH4]+ 157.108373 144.8
[M+K]+ 178.037708 132.9
[M+H-H2O]+ 122.071810 119.0
[M+HCOO]- 184.072751 150.1
[M+CH3COO]- 198.088401 173.8
[M+Na-2H]- 160.049216 135.8
[M]+ 139.07400142 126.0
[M]- 139.07509858 126.0
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