CID 4418508

1,5-dimethoxy-1,4-cyclohexadiene

Structural Information

Molecular Formula
C8H12O2
SMILES
COC1=CCC=C(C1)OC
InChI
InChI=1S/C8H12O2/c1-9-7-4-3-5-8(6-7)10-2/h4-5H,3,6H2,1-2H3
InChIKey
MDBSJHGNFNKPTA-UHFFFAOYSA-N
Compound name
1,5-dimethoxycyclohexa-1,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

140.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 126.7
[M+Na]+ 163.07294 134.4
[M-H]- 139.07644 130.5
[M+NH4]+ 158.11754 148.6
[M+K]+ 179.04688 134.2
[M+H-H2O]+ 123.08098 121.4
[M+HCOO]- 185.08192 150.7
[M+CH3COO]- 199.09757 173.8
[M+Na-2H]- 161.05839 133.9
[M]+ 140.08317 128.1
[M]- 140.08427 128.1
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.