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

1
Patents

240.13615 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.14343 155.5
[M+Na]+ 263.12537 160.7
[M-H]- 239.12887 158.3
[M+NH4]+ 258.16997 172.9
[M+K]+ 279.09931 160.4
[M+H-H2O]+ 223.13341 148.4
[M+HCOO]- 285.13435 178.7
[M+CH3COO]- 299.15000 192.2
[M+Na-2H]- 261.11082 160.3
[M]+ 240.13560 162.0
[M]- 240.13670 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