CID 34078

Gh 44

Structural Information

Molecular Formula
C21H28O2
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(C)(C)C
InChI
InChI=1S/C21H28O2/c1-6-22-18-12-8-16(9-13-18)20(21(3,4)5)17-10-14-19(15-11-17)23-7-2/h8-15,20H,6-7H2,1-5H3
InChIKey
YISAFEWRNHHIJC-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[1-(4-ethoxyphenyl)-2,2-dimethylpropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.20892 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.21620 178.3
[M+Na]+ 335.19814 183.9
[M-H]- 311.20164 184.6
[M+NH4]+ 330.24274 193.2
[M+K]+ 351.17208 180.6
[M+H-H2O]+ 295.20618 170.4
[M+HCOO]- 357.20712 198.2
[M+CH3COO]- 371.22277 209.9
[M+Na-2H]- 333.18359 180.8
[M]+ 312.20837 182.4
[M]- 312.20947 182.4
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