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]+ 262.107376 158.0
[M+Na]+ 284.089318 166.4
[M-H]- 260.092824 158.3
[M+NH4]+ 279.133923 174.5
[M+K]+ 300.063258 160.2
[M+H-H2O]+ 244.097360 152.6
[M+HCOO]- 306.098301 167.0
[M+CH3COO]- 320.113951 167.8
[M+Na-2H]- 282.074766 161.9
[M]+ 261.09955142 163.7
[M]- 261.10064858 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.