CID 145721313

Pantheric acid c

Structural Information

Molecular Formula

C₁₁H₁₈O₄

SMILES

COC(=O)CCCCCC/C=C/C(=O)O

InChI

InChI=1S/C11H18O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7,9H2,1H3,(H,12,13)/b8-6+

InChIKey

PAZIVHODBVDWOT-SOFGYWHQSA-N

Compound name

(E)-10-methoxy-10-oxodec-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.12051 Da
Monoisotopic Mass: 2.3
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]+	215.12779	150.6
[M+Na]+	237.10973	155.8
[M-H]-	213.11323	148.8
[M+NH4]+	232.15433	168.5
[M+K]+	253.08367	154.4
[M+H-H2O]+	197.11777	145.3
[M+HCOO]-	259.11871	170.9
[M+CH3COO]-	273.13436	185.2
[M+Na-2H]-	235.09518	152.1
[M]+	214.11996	154.1
[M]-	214.12106	154.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.