CID 2908788

436811-18-6

Structural Information

Molecular Formula
C14H15NO4
SMILES
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CCC(=O)O
InChI
InChI=1S/C14H15NO4/c16-10(17)3-4-15-13(18)11-6-1-2-7(9-5-8(6)9)12(11)14(15)19/h1-2,6-9,11-12H,3-5H2,(H,16,17)
InChIKey
QVKBNBWTDBEIPL-UHFFFAOYSA-N
Compound name
3-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

261.1001 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 158.0
[M+Na]+ 284.08932 166.4
[M-H]- 260.09282 158.3
[M+NH4]+ 279.13392 174.5
[M+K]+ 300.06326 160.2
[M+H-H2O]+ 244.09736 152.6
[M+HCOO]- 306.09830 167.0
[M+CH3COO]- 320.11395 167.8
[M+Na-2H]- 282.07477 161.9
[M]+ 261.09955 163.7
[M]- 261.10065 163.7
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

No patent data available for this compound.