CID 4068285

N,n-dibutyl-3-methoxyaniline

Structural Information

Molecular Formula
C15H25NO
SMILES
CCCCN(CCCC)C1=CC(=CC=C1)OC
InChI
InChI=1S/C15H25NO/c1-4-6-11-16(12-7-5-2)14-9-8-10-15(13-14)17-3/h8-10,13H,4-7,11-12H2,1-3H3
InChIKey
BHRRIXUIPSCYJA-UHFFFAOYSA-N
Compound name
N,N-dibutyl-3-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

235.19362 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 158.9
[M+Na]+ 258.18284 163.9
[M-H]- 234.18634 163.1
[M+NH4]+ 253.22744 177.3
[M+K]+ 274.15678 162.4
[M+H-H2O]+ 218.19088 151.6
[M+HCOO]- 280.19182 183.2
[M+CH3COO]- 294.20747 201.0
[M+Na-2H]- 256.16829 162.6
[M]+ 235.19307 163.3
[M]- 235.19417 163.3
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.