CID 34881

Tert-butyrophenone, 3',4'-dimethoxy-

Structural Information

Molecular Formula
C13H18O3
SMILES
CC(C)(C)C(=O)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C13H18O3/c1-13(2,3)12(14)9-6-7-10(15-4)11(8-9)16-5/h6-8H,1-5H3
InChIKey
MAKGAZCLZFWBKC-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

222.1256 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13288 148.8
[M+Na]+ 245.11482 156.9
[M-H]- 221.11832 153.0
[M+NH4]+ 240.15942 167.9
[M+K]+ 261.08876 156.1
[M+H-H2O]+ 205.12286 143.5
[M+HCOO]- 267.12380 170.5
[M+CH3COO]- 281.13945 191.4
[M+Na-2H]- 243.10027 153.3
[M]+ 222.12505 153.6
[M]- 222.12615 153.6
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