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]+ 180.113146 142.1
[M+Na]+ 202.095088 152.5
[M-H]- 178.098594 145.6
[M+NH4]+ 197.139693 154.0
[M+K]+ 218.069028 147.0
[M+H-H2O]+ 162.103130 134.5
[M+HCOO]- 224.104071 164.1
[M+CH3COO]- 238.119721 183.7
[M+Na-2H]- 200.080536 147.9
[M]+ 179.10532142 142.1
[M]- 179.10641858 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.