CID 9016

1,4-dimethoxybenzene

Structural Information

Molecular Formula
C8H10O2
SMILES
COC1=CC=C(C=C1)OC
InChI
InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
InChIKey
OHBQPCCCRFSCAX-UHFFFAOYSA-N
Compound name
1,4-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

105
References

32178
Patents

138.06808 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 124.8
[M+Na]+ 161.05730 133.6
[M-H]- 137.06080 129.0
[M+NH4]+ 156.10190 146.9
[M+K]+ 177.03124 133.1
[M+H-H2O]+ 121.06534 119.5
[M+HCOO]- 183.06628 150.3
[M+CH3COO]- 197.08193 173.5
[M+Na-2H]- 159.04275 133.0
[M]+ 138.06753 127.7
[M]- 138.06863 127.7
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