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

34
Patents

213.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.086256 143.2
[M+Na]+ 236.068198 152.8
[M-H]- 212.071704 146.8
[M+NH4]+ 231.112803 163.1
[M+K]+ 252.042138 148.6
[M+H-H2O]+ 196.076240 135.9
[M+HCOO]- 258.077181 162.7
[M+CH3COO]- 272.092831 156.3
[M+Na-2H]- 234.053646 151.9
[M]+ 213.07843142 144.1
[M]- 213.07952858 144.1
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

patents stripe