CID 360884

Nsc623591

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1CN2CCC(=O)C3=CC=CC(=C32)C1=O
InChI
InChI=1S/C12H11NO2/c14-10-4-6-13-7-5-11(15)9-3-1-2-8(10)12(9)13/h1-3H,4-7H2
InChIKey
ZQCRPMTUZRBIFO-UHFFFAOYSA-N
Compound name
1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-4,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 140.8
[M+Na]+ 224.06820 148.7
[M-H]- 200.07170 143.7
[M+NH4]+ 219.11280 160.9
[M+K]+ 240.04214 145.2
[M+H-H2O]+ 184.07624 133.7
[M+HCOO]- 246.07718 157.7
[M+CH3COO]- 260.09283 153.2
[M+Na-2H]- 222.05365 148.0
[M]+ 201.07843 138.4
[M]- 201.07953 138.4
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.