CID 155943944

2613383-08-5

Structural Information

Molecular Formula
C9H16N2O
SMILES
CN1CCC2CCNCC2C1=O
InChI
InChI=1S/C9H16N2O/c1-11-5-3-7-2-4-10-6-8(7)9(11)12/h7-8,10H,2-6H2,1H3
InChIKey
PSSGWNZSTVASHK-UHFFFAOYSA-N
Compound name
2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2,7-naphthyridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 138.9
[M+Na]+ 191.11549 149.6
[M+NH4]+ 186.16009 147.3
[M+K]+ 207.08943 143.4
[M-H]- 167.11899 139.7
[M+Na-2H]- 189.10094 142.0
[M]+ 168.12572 140.3
[M]- 168.12682 140.3
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.