CID 60179

M-anisidine, 4-(octyloxy)-

Structural Information

Molecular Formula
C15H25NO2
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C15H25NO2/c1-3-4-5-6-7-8-11-18-14-10-9-13(16)12-15(14)17-2/h9-10,12H,3-8,11,16H2,1-2H3
InChIKey
JKRIFKGKSXBJND-UHFFFAOYSA-N
Compound name
3-methoxy-4-octoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

251.18852 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.195796 161.8
[M+Na]+ 274.177738 167.6
[M-H]- 250.181244 164.4
[M+NH4]+ 269.222343 178.9
[M+K]+ 290.151678 164.8
[M+H-H2O]+ 234.185780 154.7
[M+HCOO]- 296.186721 185.2
[M+CH3COO]- 310.202371 200.0
[M+Na-2H]- 272.163186 164.6
[M]+ 251.18797142 165.8
[M]- 251.18906858 165.8
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