CID 16786789

1-(3-aminopropyl)-1,2-dihydropyrimidin-2-one dihydrochloride

Structural Information

Molecular Formula
C7H11N3O
SMILES
C1=CN(C(=O)N=C1)CCCN
InChI
InChI=1S/C7H11N3O/c8-3-1-5-10-6-2-4-9-7(10)11/h2,4,6H,1,3,5,8H2
InChIKey
UMTWOZPNHLHVDM-UHFFFAOYSA-N
Compound name
1-(3-aminopropyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

153.09021 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 130.6
[M+Na]+ 176.07943 139.3
[M-H]- 152.08293 131.2
[M+NH4]+ 171.12403 148.7
[M+K]+ 192.05337 137.0
[M+H-H2O]+ 136.08747 123.2
[M+HCOO]- 198.08841 154.0
[M+CH3COO]- 212.10406 177.1
[M+Na-2H]- 174.06488 138.5
[M]+ 153.08966 130.1
[M]- 153.09076 130.1
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