CID 27223

M-anisidine, 4-((3-ethylheptyl)oxy)-, hydrochloride

Structural Information

Molecular Formula
C16H27NO2
SMILES
CCCCC(CC)CCOC1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C16H27NO2/c1-4-6-7-13(5-2)10-11-19-15-9-8-14(17)12-16(15)18-3/h8-9,12-13H,4-7,10-11,17H2,1-3H3
InChIKey
MIYVWZBMLNNZGA-UHFFFAOYSA-N
Compound name
4-(3-ethylheptoxy)-3-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.2042 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.21148 167.2
[M+Na]+ 288.19342 172.2
[M-H]- 264.19692 169.6
[M+NH4]+ 283.23802 183.6
[M+K]+ 304.16736 169.7
[M+H-H2O]+ 248.20146 159.9
[M+HCOO]- 310.20240 189.2
[M+CH3COO]- 324.21805 203.8
[M+Na-2H]- 286.17887 168.1
[M]+ 265.20365 170.8
[M]- 265.20475 170.8
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

No patent data available for this compound.