CID 82593993

4-(2-aminoethyl)pyrimidin-2-ol hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.07455 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 126.5
[M+Na]+ 162.06377 138.3
[M+NH4]+ 157.10837 133.6
[M+K]+ 178.03771 133.0
[M-H]- 138.06727 127.0
[M+Na-2H]- 160.04922 132.9
[M]+ 139.07400 128.0
[M]- 139.07510 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.