CID 132519250

Mumiamicin

Structural Information

Molecular Formula
C15H22O3
SMILES
CCCCCCCC1=CC(=C(O1)/C=C/C(=O)O)C
InChI
InChI=1S/C15H22O3/c1-3-4-5-6-7-8-13-11-12(2)14(18-13)9-10-15(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)/b10-9+
InChIKey
MYRXTTUJWHOMGE-MDZDMXLPSA-N
Compound name
(E)-3-(5-heptyl-3-methylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 161.6
[M+Na]+ 273.14611 168.1
[M-H]- 249.14961 164.1
[M+NH4]+ 268.19071 179.0
[M+K]+ 289.12005 165.7
[M+H-H2O]+ 233.15415 155.9
[M+HCOO]- 295.15509 182.5
[M+CH3COO]- 309.17074 193.7
[M+Na-2H]- 271.13156 162.2
[M]+ 250.15634 166.1
[M]- 250.15744 166.1
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.