CID 162533

1-(2,2-dimethoxyethyl)-4-methylbenzene

Structural Information

Molecular Formula
C11H16O2
SMILES
CC1=CC=C(C=C1)CC(OC)OC
InChI
InChI=1S/C11H16O2/c1-9-4-6-10(7-5-9)8-11(12-2)13-3/h4-7,11H,8H2,1-3H3
InChIKey
BQTOTVBOOGPLPR-UHFFFAOYSA-N
Compound name
1-(2,2-dimethoxyethyl)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

180.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 139.3
[M+Na]+ 203.10426 146.5
[M-H]- 179.10776 143.0
[M+NH4]+ 198.14886 159.6
[M+K]+ 219.07820 145.8
[M+H-H2O]+ 163.11230 133.5
[M+HCOO]- 225.11324 162.7
[M+CH3COO]- 239.12889 183.4
[M+Na-2H]- 201.08971 144.6
[M]+ 180.11449 142.6
[M]- 180.11559 142.6
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