CID 14817331

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

Structural Information

Molecular Formula
C11H16O2
SMILES
CC1=CC=CC=C1CC(OC)OC
InChI
InChI=1S/C11H16O2/c1-9-6-4-5-7-10(9)8-11(12-2)13-3/h4-7,11H,8H2,1-3H3
InChIKey
LQXUNLBAEJOILA-UHFFFAOYSA-N
Compound name
1-(2,2-dimethoxyethyl)-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.11504 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe