CID 135404305

Magnesium;1-methanidyl-2-methoxybenzene;chloride

Structural Information

Molecular Formula
C8H10O
SMILES
COC1=CCC=CC1=C
InChI
InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3,5-6H,1,4H2,2H3
InChIKey
UBXXANUNYGVJTL-UHFFFAOYSA-N
Compound name
1-methoxy-6-methylidenecyclohexa-1,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

122.073166 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.08044 121.9
[M+Na]+ 145.06238 130.0
[M-H]- 121.06589 125.8
[M+NH4]+ 140.10699 144.5
[M+K]+ 161.03632 128.6
[M+H-H2O]+ 105.07043 117.0
[M+HCOO]- 167.07137 145.9
[M+CH3COO]- 181.08702 170.9
[M+Na-2H]- 143.04783 129.2
[M]+ 122.07262 121.2
[M]- 122.07371 121.2
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.