CID 2761135

386715-43-1

Structural Information

Molecular Formula
C12H9NO3
SMILES
C1CN2C3=C(C=CC=C31)C=C(C2=O)C(=O)O
InChI
InChI=1S/C12H9NO3/c14-11-9(12(15)16)6-8-3-1-2-7-4-5-13(11)10(7)8/h1-3,6H,4-5H2,(H,15,16)
InChIKey
NEJGAPBPTIGUNY-UHFFFAOYSA-N
Compound name
11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

215.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 142.9
[M+Na]+ 238.04746 155.9
[M+NH4]+ 233.09206 151.3
[M+K]+ 254.02140 151.8
[M-H]- 214.05096 143.5
[M+Na-2H]- 236.03291 146.8
[M]+ 215.05769 144.7
[M]- 215.05879 144.7
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