CID 60146211

1245823-51-1

Structural Information

Molecular Formula

C₁₄H₂₄O₇

SMILES

C#CCOCCOCCOCCOCCOCCC(=O)O

InChI

InChI=1S/C14H24O7/c1-2-4-17-6-8-19-10-12-21-13-11-20-9-7-18-5-3-14(15)16/h1H,3-13H2,(H,15,16)

InChIKey

GWIACWQVTBMVEI-UHFFFAOYSA-N

Compound name

3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 304.1522 Da
Monoisotopic Mass: -0.9
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]+	305.159476	160.6
[M+Na]+	327.141418	166.3
[M-H]-	303.144924	157.7
[M+NH4]+	322.186023	173.1
[M+K]+	343.115358	165.8
[M+H-H2O]+	287.149460	148.2
[M+HCOO]-	349.150401	176.1
[M+CH3COO]-	363.166051	206.8
[M+Na-2H]-	325.126866	162.5
[M]+	304.15165142	165.0
[M]-	304.15274858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe