CID 136034529

6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-ol dihydrochloride

Structural Information

Molecular Formula
C9H13N3O
SMILES
C1CC1C2=NC(=CC(=O)N2)CCN
InChI
InChI=1S/C9H13N3O/c10-4-3-7-5-8(13)12-9(11-7)6-1-2-6/h5-6H,1-4,10H2,(H,11,12,13)
InChIKey
MOZWLDYYHNYMDE-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 142.1
[M+Na]+ 202.09509 152.5
[M-H]- 178.09859 145.6
[M+NH4]+ 197.13969 154.0
[M+K]+ 218.06903 147.0
[M+H-H2O]+ 162.10313 134.5
[M+HCOO]- 224.10407 164.1
[M+CH3COO]- 238.11972 183.7
[M+Na-2H]- 200.08054 147.9
[M]+ 179.10532 142.1
[M]- 179.10642 142.1
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

No patent data available for this compound.