CID 6442613

37443-67-7

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

C(CCCC(=O)O)CC/C=C/C(=O)O

InChI

InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h5,7H,1-4,6,8H2,(H,11,12)(H,13,14)/b7-5+

InChIKey

XUNMWLWTZWWEIE-FNORWQNLSA-N

Compound name

(E)-dec-2-enedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 257
Patents: 200.10486 Da
Monoisotopic Mass: 2.0
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]+	201.112136	146.6
[M+Na]+	223.094078	151.7
[M-H]-	199.097584	143.4
[M+NH4]+	218.138683	164.2
[M+K]+	239.068018	149.6
[M+H-H2O]+	183.102120	141.6
[M+HCOO]-	245.103061	165.6
[M+CH3COO]-	259.118711	180.3
[M+Na-2H]-	221.079526	148.0
[M]+	200.10431142	147.9
[M]-	200.10540858	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe