CID 315730

26749-93-9

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)O
InChI
InChI=1S/C11H11NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h1-2,5-6,8-9H,3-4H2,(H,13,14)
InChIKey
KXETVEDTUWAYHA-UHFFFAOYSA-N
Compound name
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

93
Patents

221.0688 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 148.7
[M+Na]+ 244.05802 158.0
[M-H]- 220.06152 150.9
[M+NH4]+ 239.10262 173.1
[M+K]+ 260.03196 155.3
[M+H-H2O]+ 204.06606 145.6
[M+HCOO]- 266.06700 167.3
[M+CH3COO]- 280.08265 187.3
[M+Na-2H]- 242.04347 148.3
[M]+ 221.06825 150.1
[M]- 221.06935 150.1
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