CID 165711436

Methyl 3-{5h,6h,7h,8h-imidazo[1,2-a]pyrimidin-3-yl}propanoate hydrochloride

Structural Information

Molecular Formula
C10H15N3O2
SMILES
COC(=O)CCC1=CN=C2N1CCCN2
InChI
InChI=1S/C10H15N3O2/c1-15-9(14)4-3-8-7-12-10-11-5-2-6-13(8)10/h7H,2-6H2,1H3,(H,11,12)
InChIKey
KQCVHUJYMHLYHI-UHFFFAOYSA-N
Compound name
methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.11642 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.123696 147.8
[M+Na]+ 232.105638 154.5
[M-H]- 208.109144 146.3
[M+NH4]+ 227.150243 164.5
[M+K]+ 248.079578 151.9
[M+H-H2O]+ 192.113680 139.7
[M+HCOO]- 254.114621 163.9
[M+CH3COO]- 268.130271 182.6
[M+Na-2H]- 230.091086 151.4
[M]+ 209.11587142 146.2
[M]- 209.11696858 146.2
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.