CID 3085461

2,5,7,10-tetraoxaundecane, 6-phenyl-

Structural Information

Molecular Formula
C13H20O4
SMILES
COCCOC(C1=CC=CC=C1)OCCOC
InChI
InChI=1S/C13H20O4/c1-14-8-10-16-13(17-11-9-15-2)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKey
QMBCKGRWKCXXJI-UHFFFAOYSA-N
Compound name
bis(2-methoxyethoxy)methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.13615 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.143426 155.5
[M+Na]+ 263.125368 160.7
[M-H]- 239.128874 158.3
[M+NH4]+ 258.169973 172.9
[M+K]+ 279.099308 160.4
[M+H-H2O]+ 223.133410 148.4
[M+HCOO]- 285.134351 178.7
[M+CH3COO]- 299.150001 192.2
[M+Na-2H]- 261.110816 160.3
[M]+ 240.13560142 162.0
[M]- 240.13669858 162.0
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

patents stripe