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

28
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

literature stripe

Patent stripe

patents stripe