CID 21398420

8a-phenyl-octahydropyrrolo[1,2-a]pyrimidin-6-one

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CNC2(CCC(=O)N2C1)C3=CC=CC=C3
InChI
InChI=1S/C13H16N2O/c16-12-7-8-13(11-5-2-1-3-6-11)14-9-4-10-15(12)13/h1-3,5-6,14H,4,7-10H2
InChIKey
VXKUXARBYXJFRT-UHFFFAOYSA-N
Compound name
8a-phenyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.12627 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 150.1
[M+Na]+ 239.11549 156.2
[M-H]- 215.11899 152.8
[M+NH4]+ 234.16009 169.4
[M+K]+ 255.08943 151.7
[M+H-H2O]+ 199.12353 141.9
[M+HCOO]- 261.12447 166.0
[M+CH3COO]- 275.14012 160.9
[M+Na-2H]- 237.10094 154.5
[M]+ 216.12572 143.2
[M]- 216.12682 143.2
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

patents stripe