CID 71309687

1-(2,2-dimethoxyethyl)-2-methoxybenzene

Structural Information

Molecular Formula
C11H16O3
SMILES
COC1=CC=CC=C1CC(OC)OC
InChI
InChI=1S/C11H16O3/c1-12-10-7-5-4-6-9(10)8-11(13-2)14-3/h4-7,11H,8H2,1-3H3
InChIKey
IAUOVMNXNAEWSV-UHFFFAOYSA-N
Compound name
1-(2,2-dimethoxyethyl)-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10994 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 142.5
[M+Na]+ 219.09916 149.6
[M-H]- 195.10266 146.2
[M+NH4]+ 214.14376 162.1
[M+K]+ 235.07310 149.4
[M+H-H2O]+ 179.10720 136.4
[M+HCOO]- 241.10814 166.1
[M+CH3COO]- 255.12379 185.4
[M+Na-2H]- 217.08461 147.7
[M]+ 196.10939 147.3
[M]- 196.11049 147.3
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

patents stripe