CID 201317

M-toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride

Structural Information

Molecular Formula
C16H27NO2
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)COC
InChI
InChI=1S/C16H27NO2/c1-3-4-5-6-7-8-11-19-16-10-9-15(17)12-14(16)13-18-2/h9-10,12H,3-8,11,13,17H2,1-2H3
InChIKey
PEBCCSSRBPJEIA-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-4-octoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.2042 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.21148 165.9
[M+Na]+ 288.19342 176.6
[M+NH4]+ 283.23802 173.1
[M+K]+ 304.16736 168.9
[M-H]- 264.19692 168.2
[M+Na-2H]- 286.17887 170.6
[M]+ 265.20365 167.9
[M]- 265.20475 167.9
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

No patent data available for this compound.