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 166.4
[M+Na]+ 288.19342 171.7
[M-H]- 264.19692 168.7
[M+NH4]+ 283.23802 182.9
[M+K]+ 304.16736 168.7
[M+H-H2O]+ 248.20146 159.1
[M+HCOO]- 310.20240 189.4
[M+CH3COO]- 324.21805 203.0
[M+Na-2H]- 286.17887 168.6
[M]+ 265.20365 170.7
[M]- 265.20475 170.7
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