CID 85214158

Sapidolide a

Structural Information

Molecular Formula

C₁₄H₁₈O₅

SMILES

CC12C3CCC1(C4C(C(C2(OC3)O)OC4=O)C=C)O

InChI

InChI=1S/C14H18O5/c1-3-8-9-11(15)19-10(8)14(17)12(2)7(6-18-14)4-5-13(9,12)16/h3,7-10,16-17H,1,4-6H2,2H3

InChIKey

OZRZMHKATMSFPV-UHFFFAOYSA-N

Compound name

13-ethenyl-1,7-dihydroxy-12-methyl-2,10-dioxatetracyclo[5.4.1.18,11.04,12]tridecan-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.11542 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.122696	155.8
[M+Na]+	289.104638	165.3
[M-H]-	265.108144	158.6
[M+NH4]+	284.149243	183.3
[M+K]+	305.078578	162.1
[M+H-H2O]+	249.112680	155.6
[M+HCOO]-	311.113621	167.3
[M+CH3COO]-	325.129271	168.0
[M+Na-2H]-	287.090086	160.6
[M]+	266.11487142	157.6
[M]-	266.11596858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe