CID 3020026

2-undecyne, 1,1-diethoxy-

Structural Information

Molecular Formula

C₁₅H₂₈O₂

SMILES

CCCCCCCCC#CC(OCC)OCC

InChI

InChI=1S/C15H28O2/c1-4-7-8-9-10-11-12-13-14-15(16-5-2)17-6-3/h15H,4-12H2,1-3H3

InChIKey

GRXUBRIOJWCPQL-UHFFFAOYSA-N

Compound name

1,1-diethoxyundec-2-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 240.20892 Da
Monoisotopic Mass: 5.1
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]+	241.21620	156.2
[M+Na]+	263.19814	162.6
[M-H]-	239.20164	154.8
[M+NH4]+	258.24274	172.4
[M+K]+	279.17208	160.2
[M+H-H2O]+	223.20618	144.5
[M+HCOO]-	285.20712	171.7
[M+CH3COO]-	299.22277	202.7
[M+Na-2H]-	261.18359	157.6
[M]+	240.20837	156.7
[M]-	240.20947	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe