CID 394210

Nsc697492

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1C(C2=CC3=C(C=C21)OCO3)C(=O)N
InChI
InChI=1S/C10H9NO3/c11-10(12)7-1-5-2-8-9(3-6(5)7)14-4-13-8/h2-3,7H,1,4H2,(H2,11,12)
InChIKey
JFICWBJQMVMQJL-UHFFFAOYSA-N
Compound name
9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 131.9
[M+Na]+ 214.04746 138.9
[M-H]- 190.05096 138.4
[M+NH4]+ 209.09206 145.7
[M+K]+ 230.02140 142.3
[M+H-H2O]+ 174.05550 122.1
[M+HCOO]- 236.05644 151.5
[M+CH3COO]- 250.07209 188.2
[M+Na-2H]- 212.03291 139.0
[M]+ 191.05769 141.9
[M]- 191.05879 141.9
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.