CID 179620

Murralongin

Structural Information

Molecular Formula
C15H14O4
SMILES
CC(=C(C=O)C1=C(C=CC2=C1OC(=O)C=C2)OC)C
InChI
InChI=1S/C15H14O4/c1-9(2)11(8-16)14-12(18-3)6-4-10-5-7-13(17)19-15(10)14/h4-8H,1-3H3
InChIKey
PBAZKMWQUBDDLZ-UHFFFAOYSA-N
Compound name
2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

258.0892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 154.3
[M+Na]+ 281.07842 163.7
[M-H]- 257.08192 160.2
[M+NH4]+ 276.12302 171.3
[M+K]+ 297.05236 162.1
[M+H-H2O]+ 241.08646 148.0
[M+HCOO]- 303.08740 175.3
[M+CH3COO]- 317.10305 197.4
[M+Na-2H]- 279.06387 159.2
[M]+ 258.08865 159.4
[M]- 258.08975 159.4
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