CID 7021458

((2,2-dimethoxyethoxy)methyl)benzene

Structural Information

Molecular Formula
C11H16O3
SMILES
COC(COCC1=CC=CC=C1)OC
InChI
InChI=1S/C11H16O3/c1-12-11(13-2)9-14-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKey
QITBBLPNYKECAZ-UHFFFAOYSA-N
Compound name
2,2-dimethoxyethoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

196.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 143.3
[M+Na]+ 219.09916 149.4
[M-H]- 195.10266 146.5
[M+NH4]+ 214.14376 162.5
[M+K]+ 235.07310 149.1
[M+H-H2O]+ 179.10720 136.8
[M+HCOO]- 241.10814 166.9
[M+CH3COO]- 255.12379 184.3
[M+Na-2H]- 217.08461 149.1
[M]+ 196.10939 147.6
[M]- 196.11049 147.6
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