CID 5317189

Erosnin

Structural Information

Molecular Formula
C18H8O6
SMILES
C1OC2=C(O1)C=C3C(=C2)C4=C(O3)C5=C(C=C6C(=C5)C=CO6)OC4=O
InChI
InChI=1S/C18H8O6/c19-18-16-9-4-14-15(22-7-21-14)6-12(9)23-17(16)10-3-8-1-2-20-11(8)5-13(10)24-18/h1-6H,7H2
InChIKey
YQXNKHVPEJJBTJ-UHFFFAOYSA-N
Compound name
7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-1(13),2(10),3,5,8,14,16(20),21-octaen-12-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

320.03207 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.03935 159.8
[M+Na]+ 343.02129 176.1
[M-H]- 319.02479 174.4
[M+NH4]+ 338.06589 178.3
[M+K]+ 358.99523 177.5
[M+H-H2O]+ 303.02933 159.1
[M+HCOO]- 365.03027 181.1
[M+CH3COO]- 379.04592 176.2
[M+Na-2H]- 341.00674 168.3
[M]+ 320.03152 174.4
[M]- 320.03262 174.4
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