CID 4987597

Oxirane, 2,2'-[1,6-naphthalenediylbis(oxymethylene)]bis-

Structural Information

Molecular Formula
C16H16O4
SMILES
C1C(O1)COC2=CC3=C(C=C2)C(=CC=C3)OCC4CO4
InChI
InChI=1S/C16H16O4/c1-2-11-6-12(17-7-13-8-18-13)4-5-15(11)16(3-1)20-10-14-9-19-14/h1-6,13-14H,7-10H2
InChIKey
MEVBAGCIOOTPLF-UHFFFAOYSA-N
Compound name
2-[[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1968
Patents

272.10486 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 166.0
[M+Na]+ 295.09408 174.3
[M-H]- 271.09758 177.3
[M+NH4]+ 290.13868 170.2
[M+K]+ 311.06802 174.9
[M+H-H2O]+ 255.10212 158.4
[M+HCOO]- 317.10306 184.2
[M+CH3COO]- 331.11871 176.1
[M+Na-2H]- 293.07953 171.7
[M]+ 272.10431 174.8
[M]- 272.10541 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe