CID 254433

Nsc78809

Structural Information

Molecular Formula
C20H30O6
SMILES
CCCCOCCOCCOCOCC1=CC2=C(C=C1CC=C)OCO2
InChI
InChI=1S/C20H30O6/c1-3-5-7-21-8-9-22-10-11-23-15-24-14-18-13-20-19(25-16-26-20)12-17(18)6-4-2/h4,12-13H,2-3,5-11,14-16H2,1H3
InChIKey
COBJDHYYLPOLLM-UHFFFAOYSA-N
Compound name
5-[2-(2-butoxyethoxy)ethoxymethoxymethyl]-6-prop-2-enyl-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.20422 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.211496 189.3
[M+Na]+ 389.193438 193.9
[M-H]- 365.196944 193.5
[M+NH4]+ 384.238043 201.9
[M+K]+ 405.167378 193.5
[M+H-H2O]+ 349.201480 182.0
[M+HCOO]- 411.202421 208.8
[M+CH3COO]- 425.218071 215.9
[M+Na-2H]- 387.178886 192.0
[M]+ 366.20367142 201.1
[M]- 366.20476858 201.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.