CID 137951519

Decahydropyrimido[1,2-a]azepin-4-one

Structural Information

Molecular Formula
C9H16N2O
SMILES
C1CCC2NCCC(=O)N2CC1
InChI
InChI=1S/C9H16N2O/c12-9-5-6-10-8-4-2-1-3-7-11(8)9/h8,10H,1-7H2
InChIKey
VWGBIAXVOYXIJU-UHFFFAOYSA-N
Compound name
2,3,6,7,8,9,10,10a-octahydro-1H-pyrimido[1,2-a]azepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 136.2
[M+Na]+ 191.11549 144.5
[M+NH4]+ 186.16009 143.7
[M+K]+ 207.08943 140.3
[M-H]- 167.11899 136.6
[M+Na-2H]- 189.10094 139.7
[M]+ 168.12572 137.2
[M]- 168.12682 137.2
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.