CID 294550

1-(dodecyloxy)-4-methylbenzene

Structural Information

Molecular Formula
C19H32O
SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)C
InChI
InChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-17-20-19-15-13-18(2)14-16-19/h13-16H,3-12,17H2,1-2H3
InChIKey
XGSLTJBILNOJCV-UHFFFAOYSA-N
Compound name
1-dodecoxy-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

276.24533 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.25261 172.9
[M+Na]+ 299.23455 176.9
[M-H]- 275.23805 174.8
[M+NH4]+ 294.27915 189.3
[M+K]+ 315.20849 173.0
[M+H-H2O]+ 259.24259 165.4
[M+HCOO]- 321.24353 194.3
[M+CH3COO]- 335.25918 204.7
[M+Na-2H]- 297.22000 174.9
[M]+ 276.24478 178.2
[M]- 276.24588 178.2
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

patents stripe