CID 10607071

132997-94-5

Structural Information

Molecular Formula

C₇H₁₄O₄

SMILES

COCCOCCOCC=O

InChI

InChI=1S/C7H14O4/c1-9-4-5-11-7-6-10-3-2-8/h2H,3-7H2,1H3

InChIKey

IGENRCKJLAQXEW-UHFFFAOYSA-N

Compound name

2-[2-(2-methoxyethoxy)ethoxy]acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 146
Patents: 162.0892 Da
Monoisotopic Mass: -0.7
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]+	163.09648	133.1
[M+Na]+	185.07842	140.1
[M-H]-	161.08192	133.1
[M+NH4]+	180.12302	153.9
[M+K]+	201.05236	141.0
[M+H-H2O]+	145.08646	127.9
[M+HCOO]-	207.08740	157.8
[M+CH3COO]-	221.10305	177.3
[M+Na-2H]-	183.06387	139.8
[M]+	162.08865	140.0
[M]-	162.08975	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe