CID 89529

21715-90-2

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1C2C=CC1C3C2C(=O)N(C3=O)O
InChI
InChI=1S/C9H9NO3/c11-8-6-4-1-2-5(3-4)7(6)9(12)10(8)13/h1-2,4-7,13H,3H2
InChIKey
ZUSSTQCWRDLYJA-UHFFFAOYSA-N
Compound name
4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7365
Patents

179.05824 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 137.3
[M+Na]+ 202.047458 147.8
[M-H]- 178.050964 139.8
[M+NH4]+ 197.092063 163.7
[M+K]+ 218.021398 145.1
[M+H-H2O]+ 162.055500 134.4
[M+HCOO]- 224.056441 157.3
[M+CH3COO]- 238.072091 151.4
[M+Na-2H]- 200.032906 138.9
[M]+ 179.05769142 138.0
[M]- 179.05878858 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe