CID 17046

1,4-butanediol diglycidyl ether

Structural Information

Molecular Formula

C₁₀H₁₈O₄

SMILES

C1C(O1)COCCCCOCC2CO2

InChI

InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2

InChIKey

SHKUUQIDMUMQQK-UHFFFAOYSA-N

Compound name

2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 96
References: 44703
Patents: 202.12051 Da
Monoisotopic Mass: 0.0
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]+	203.12779	155.5
[M+Na]+	225.10973	162.2
[M-H]-	201.11323	163.6
[M+NH4]+	220.15433	161.4
[M+K]+	241.08367	163.8
[M+H-H2O]+	185.11777	148.2
[M+HCOO]-	247.11871	174.1
[M+CH3COO]-	261.13436	196.3
[M+Na-2H]-	223.09518	160.8
[M]+	202.11996	165.4
[M]-	202.12106	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe