CID 2736141

386715-48-6

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1CC2=CC=CC3=C2N(C1)C(=O)C(=C3)C=O
InChI
InChI=1S/C13H11NO2/c15-8-11-7-10-4-1-3-9-5-2-6-14(12(9)10)13(11)16/h1,3-4,7-8H,2,5-6H2
InChIKey
FPZDNTSHNYEKBC-UHFFFAOYSA-N
Compound name
2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

213.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 143.5
[M+Na]+ 236.06820 158.9
[M+NH4]+ 231.11280 153.2
[M+K]+ 252.04214 150.8
[M-H]- 212.07170 146.2
[M+Na-2H]- 234.05365 149.8
[M]+ 213.07843 146.6
[M]- 213.07953 146.6
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

patents stripe