CID 3020203

P-(2,2-dimethoxy-1-methylethyl)toluene

Structural Information

Molecular Formula
C12H18O2
SMILES
CC1=CC=C(C=C1)C(C)C(OC)OC
InChI
InChI=1S/C12H18O2/c1-9-5-7-11(8-6-9)10(2)12(13-3)14-4/h5-8,10,12H,1-4H3
InChIKey
NHCQQYMXSJZMEO-UHFFFAOYSA-N
Compound name
1-(1,1-dimethoxypropan-2-yl)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 144.1
[M+Na]+ 217.119898 150.6
[M-H]- 193.123404 147.7
[M+NH4]+ 212.164503 163.8
[M+K]+ 233.093838 150.1
[M+H-H2O]+ 177.127940 138.2
[M+HCOO]- 239.128881 166.2
[M+CH3COO]- 253.144531 187.3
[M+Na-2H]- 215.105346 147.6
[M]+ 194.13013142 147.2
[M]- 194.13122858 147.2
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

No patent data available for this compound.