CID 13950331

1614-82-0

Structural Information

Molecular Formula
C12H16O2
SMILES
COC1=CCC2=C(C1)CC(=CC2)OC
InChI
InChI=1S/C12H16O2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h5-6H,3-4,7-8H2,1-2H3
InChIKey
PWPPYWWWEVISEX-UHFFFAOYSA-N
Compound name
2,7-dimethoxy-1,4,5,8-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

192.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 140.6
[M+Na]+ 215.10426 147.9
[M-H]- 191.10776 144.9
[M+NH4]+ 210.14886 161.5
[M+K]+ 231.07820 146.0
[M+H-H2O]+ 175.11230 134.6
[M+HCOO]- 237.11324 161.6
[M+CH3COO]- 251.12889 184.8
[M+Na-2H]- 213.08971 147.1
[M]+ 192.11449 141.1
[M]- 192.11559 141.1
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