CID 9543291

1,6-dimethoxypyrene

Structural Information

Molecular Formula
C18H14O2
SMILES
COC1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)OC)C=C1
InChI
InChI=1S/C18H14O2/c1-19-15-9-5-11-4-8-14-16(20-2)10-6-12-3-7-13(15)17(11)18(12)14/h3-10H,1-2H3
InChIKey
WFKVWBRLOQDNIT-UHFFFAOYSA-N
Compound name
1,6-dimethoxypyrene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

9
Patents

262.09937 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.106646 158.6
[M+Na]+ 285.088588 169.2
[M-H]- 261.092094 164.3
[M+NH4]+ 280.133193 179.2
[M+K]+ 301.062528 164.6
[M+H-H2O]+ 245.096630 150.7
[M+HCOO]- 307.097571 179.6
[M+CH3COO]- 321.113221 171.8
[M+Na-2H]- 283.074036 168.9
[M]+ 262.09882142 165.5
[M]- 262.09991858 165.5
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