CID 18768454

2287302-30-9

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1=CN=C(NC1=O)CCN
InChI
InChI=1S/C6H9N3O/c7-3-1-5-8-4-2-6(10)9-5/h2,4H,1,3,7H2,(H,8,9,10)
InChIKey
AEIZOZZULKSQDC-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.07455 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 126.8
[M+Na]+ 162.06377 135.5
[M-H]- 138.06727 126.2
[M+NH4]+ 157.10837 144.7
[M+K]+ 178.03771 132.5
[M+H-H2O]+ 122.07181 119.9
[M+HCOO]- 184.07275 149.0
[M+CH3COO]- 198.08840 171.5
[M+Na-2H]- 160.04922 134.7
[M]+ 139.07400 124.1
[M]- 139.07510 124.1
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