CID 598069

3,3,6,6-tetramethoxycyclohexa-1,4-diene

Structural Information

Molecular Formula
C10H16O4
SMILES
COC1(C=CC(C=C1)(OC)OC)OC
InChI
InChI=1S/C10H16O4/c1-11-9(12-2)5-7-10(13-3,14-4)8-6-9/h5-8H,1-4H3
InChIKey
LJAWVXAZDYVFNU-UHFFFAOYSA-N
Compound name
3,3,6,6-tetramethoxycyclohexa-1,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

200.10486 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 140.0
[M+Na]+ 223.09408 148.7
[M-H]- 199.09758 144.3
[M+NH4]+ 218.13868 163.5
[M+K]+ 239.06802 149.5
[M+H-H2O]+ 183.10212 135.7
[M+HCOO]- 245.10306 163.8
[M+CH3COO]- 259.11871 183.2
[M+Na-2H]- 221.07953 148.8
[M]+ 200.10431 146.0
[M]- 200.10541 146.0
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