CID 140756

1-hexadecyloxy-4-methoxybenzene

Structural Information

Molecular Formula
C23H40O2
SMILES
CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OC
InChI
InChI=1S/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-25-23-19-17-22(24-2)18-20-23/h17-20H,3-16,21H2,1-2H3
InChIKey
ZRBCTBULZAOUQB-UHFFFAOYSA-N
Compound name
1-hexadecoxy-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

348.30283 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.31011 194.3
[M+Na]+ 371.29205 196.5
[M-H]- 347.29555 195.4
[M+NH4]+ 366.33665 207.7
[M+K]+ 387.26599 192.1
[M+H-H2O]+ 331.30009 185.7
[M+HCOO]- 393.30103 214.5
[M+CH3COO]- 407.31668 218.4
[M+Na-2H]- 369.27750 194.1
[M]+ 348.30228 202.5
[M]- 348.30338 202.5
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