CID 131751555

Corticrocin

Structural Information

Molecular Formula

C₁₄H₁₄O₄

SMILES

C(=C/C=C/C=C\C(=O)O)\C=C/C=C/C=C\C(=O)O

InChI

InChI=1S/C14H14O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H,(H,15,16)(H,17,18)/b3-1-,4-2+,7-5+,8-6+,11-9-,12-10-

InChIKey

PXPBPRNNNVMUEY-GTLDOENYSA-N

Compound name

(2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1
Patents: 246.0892 Da
Monoisotopic Mass: 2.8
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]+	247.09648	157.4
[M+Na]+	269.07842	162.8
[M-H]-	245.08192	154.0
[M+NH4]+	264.12302	173.2
[M+K]+	285.05236	156.6
[M+H-H2O]+	229.08646	152.3
[M+HCOO]-	291.08740	176.3
[M+CH3COO]-	305.10305	184.8
[M+Na-2H]-	267.06387	157.1
[M]+	246.08865	156.3
[M]-	246.08975	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe