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 139.0
[M+Na]+ 191.11549 144.4
[M-H]- 167.11899 138.2
[M+NH4]+ 186.16009 157.0
[M+K]+ 207.08943 141.5
[M+H-H2O]+ 151.12353 131.9
[M+HCOO]- 213.12447 152.3
[M+CH3COO]- 227.14012 176.8
[M+Na-2H]- 189.10094 143.3
[M]+ 168.12572 131.1
[M]- 168.12682 131.1
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.