CID 61154

N,n-dibutylaniline

Structural Information

Molecular Formula
C14H23N
SMILES
CCCCN(CCCC)C1=CC=CC=C1
InChI
InChI=1S/C14H23N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKey
FZPXKEPZZOEPGX-UHFFFAOYSA-N
Compound name
N,N-dibutylaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

6014
Patents

205.18304 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.19032 151.3
[M+Na]+ 228.17226 155.8
[M-H]- 204.17576 155.3
[M+NH4]+ 223.21686 170.7
[M+K]+ 244.14620 154.1
[M+H-H2O]+ 188.18030 144.2
[M+HCOO]- 250.18124 175.7
[M+CH3COO]- 264.19689 194.9
[M+Na-2H]- 226.15771 156.3
[M]+ 205.18249 153.5
[M]- 205.18359 153.5
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.