CID 188750

Murraxocin

Structural Information

Molecular Formula
C17H20O5
SMILES
CCOC(C1=C(C=CC2=C1OC(=O)C=C2)OC)C(C(=C)C)O
InChI
InChI=1S/C17H20O5/c1-5-21-17(15(19)10(2)3)14-12(20-4)8-6-11-7-9-13(18)22-16(11)14/h6-9,15,17,19H,2,5H2,1,3-4H3
InChIKey
GDLSTIJVZWVVPB-UHFFFAOYSA-N
Compound name
8-(1-ethoxy-2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

304.13107 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13835 168.8
[M+Na]+ 327.12029 175.8
[M-H]- 303.12379 172.7
[M+NH4]+ 322.16489 182.9
[M+K]+ 343.09423 174.8
[M+H-H2O]+ 287.12833 162.0
[M+HCOO]- 349.12927 186.4
[M+CH3COO]- 363.14492 205.5
[M+Na-2H]- 325.10574 170.8
[M]+ 304.13052 174.2
[M]- 304.13162 174.2
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