CID 622707

1,2,3,4-tetrahydro-1,4-ethanoanthracene, 9,10-dimethoxy-

Structural Information

Molecular Formula
C18H20O2
SMILES
COC1=C2C3CCC(C2=C(C4=CC=CC=C41)OC)CC3
InChI
InChI=1S/C18H20O2/c1-19-17-13-5-3-4-6-14(13)18(20-2)16-12-9-7-11(8-10-12)15(16)17/h3-6,11-12H,7-10H2,1-2H3
InChIKey
PDLYCNRWIOUQSB-UHFFFAOYSA-N
Compound name
3,10-dimethoxytetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.14633 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.153606 158.6
[M+Na]+ 291.135548 163.7
[M-H]- 267.139054 159.1
[M+NH4]+ 286.180153 180.5
[M+K]+ 307.109488 159.7
[M+H-H2O]+ 251.143590 150.8
[M+HCOO]- 313.144531 169.5
[M+CH3COO]- 327.160181 168.5
[M+Na-2H]- 289.120996 168.3
[M]+ 268.14578142 162.1
[M]- 268.14687858 162.1
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.