CID 20856

Dianisylneopentane

Structural Information

Molecular Formula
C19H24O2
SMILES
CC(C)(C)C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC
InChI
InChI=1S/C19H24O2/c1-19(2,3)18(14-6-10-16(20-4)11-7-14)15-8-12-17(21-5)13-9-15/h6-13,18H,1-5H3
InChIKey
ISCNHUDJLJIUKB-UHFFFAOYSA-N
Compound name
1-methoxy-4-[1-(4-methoxyphenyl)-2,2-dimethylpropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

284.17764 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18492 168.9
[M+Na]+ 307.16686 175.4
[M-H]- 283.17036 175.6
[M+NH4]+ 302.21146 185.0
[M+K]+ 323.14080 172.6
[M+H-H2O]+ 267.17490 161.5
[M+HCOO]- 329.17584 189.5
[M+CH3COO]- 343.19149 203.9
[M+Na-2H]- 305.15231 172.4
[M]+ 284.17709 172.3
[M]- 284.17819 172.3
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