CID 718922

2-methyl-7,8,9,10-tetrahydropyrimido[1,2-a]azepin-4(6h)-one

Structural Information

Molecular Formula
C10H14N2O
SMILES
CC1=CC(=O)N2CCCCCC2=N1
InChI
InChI=1S/C10H14N2O/c1-8-7-10(13)12-6-4-2-3-5-9(12)11-8/h7H,2-6H2,1H3
InChIKey
DMFZVKFRXTZJLR-UHFFFAOYSA-N
Compound name
2-methyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.11061 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 133.7
[M+Na]+ 201.09983 140.9
[M-H]- 177.10333 136.7
[M+NH4]+ 196.14443 151.3
[M+K]+ 217.07377 142.2
[M+H-H2O]+ 161.10787 126.8
[M+HCOO]- 223.10881 152.2
[M+CH3COO]- 237.12446 146.1
[M+Na-2H]- 199.08528 140.9
[M]+ 178.11006 129.5
[M]- 178.11116 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.