CID 2758019

4,6-decadiyn-1,10-diol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C(CC#CC#CCCCO)CO

InChI

InChI=1S/C10H14O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,5-10H2

InChIKey

BLPYWBZRUNDXJH-UHFFFAOYSA-N

Compound name

deca-4,6-diyne-1,10-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 173
Patents: 166.09938 Da
Monoisotopic Mass: 1.0
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]+	167.106656	146.6
[M+Na]+	189.088598	155.5
[M-H]-	165.092104	145.8
[M+NH4]+	184.133203	159.6
[M+K]+	205.062538	152.0
[M+H-H2O]+	149.096640	133.9
[M+HCOO]-	211.097581	154.8
[M+CH3COO]-	225.113231	202.8
[M+Na-2H]-	187.074046	148.3
[M]+	166.09883142	138.9
[M]-	166.09992858	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe