CID 2232511

415724-02-6

Structural Information

Molecular Formula
C19H24O2
SMILES
CC1=CC(=C(C=C1)C)OCCCOC2=C(C=CC(=C2)C)C
InChI
InChI=1S/C19H24O2/c1-14-6-8-16(3)18(12-14)20-10-5-11-21-19-13-15(2)7-9-17(19)4/h6-9,12-13H,5,10-11H2,1-4H3
InChIKey
KOWGJVKUFFVJJK-UHFFFAOYSA-N
Compound name
2-[3-(2,5-dimethylphenoxy)propoxy]-1,4-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

284.17764 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18492 168.2
[M+Na]+ 307.16686 176.3
[M-H]- 283.17036 175.2
[M+NH4]+ 302.21146 184.8
[M+K]+ 323.14080 172.5
[M+H-H2O]+ 267.17490 160.4
[M+HCOO]- 329.17584 191.3
[M+CH3COO]- 343.19149 205.7
[M+Na-2H]- 305.15231 170.7
[M]+ 284.17709 173.5
[M]- 284.17819 173.5
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