CID 360886

Nsc623593

Structural Information

Molecular Formula
C13H13NO2
SMILES
CC1=CC2=C3C(=C1)C(=O)CCN3CCC2=O
InChI
InChI=1S/C13H13NO2/c1-8-6-9-11(15)2-4-14-5-3-12(16)10(7-8)13(9)14/h6-7H,2-5H2,1H3
InChIKey
KOTFDIZOIDRTLZ-UHFFFAOYSA-N
Compound name
7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-4,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 145.5
[M+Na]+ 238.08386 153.9
[M-H]- 214.08736 148.6
[M+NH4]+ 233.12846 165.4
[M+K]+ 254.05780 150.2
[M+H-H2O]+ 198.09190 138.5
[M+HCOO]- 260.09284 162.0
[M+CH3COO]- 274.10849 157.8
[M+Na-2H]- 236.06931 151.5
[M]+ 215.09409 143.9
[M]- 215.09519 143.9
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.