CID 43127151

3-{[(2-ethylhexyl)oxy]methyl}aniline

Structural Information

Molecular Formula
C15H25NO
SMILES
CCCCC(CC)COCC1=CC(=CC=C1)N
InChI
InChI=1S/C15H25NO/c1-3-5-7-13(4-2)11-17-12-14-8-6-9-15(16)10-14/h6,8-10,13H,3-5,7,11-12,16H2,1-2H3
InChIKey
NNDQLCOUJBVGNL-UHFFFAOYSA-N
Compound name
3-(2-ethylhexoxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.19362 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 158.9
[M+Na]+ 258.18284 169.6
[M+NH4]+ 253.22744 166.8
[M+K]+ 274.15678 162.2
[M-H]- 234.18634 161.5
[M+Na-2H]- 256.16829 164.2
[M]+ 235.19307 161.0
[M]- 235.19417 161.0
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.