CID 13169152

4-bromo-n,n-dibutylaniline

Structural Information

Molecular Formula
C14H22BrN
SMILES
CCCCN(CCCC)C1=CC=C(C=C1)Br
InChI
InChI=1S/C14H22BrN/c1-3-5-11-16(12-6-4-2)14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChIKey
UUZAXCYJSHWGLA-UHFFFAOYSA-N
Compound name
4-bromo-N,N-dibutylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

283.09357 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10085 162.0
[M+Na]+ 306.08279 170.7
[M-H]- 282.08629 168.6
[M+NH4]+ 301.12739 182.0
[M+K]+ 322.05673 159.5
[M+H-H2O]+ 266.09083 160.5
[M+HCOO]- 328.09177 183.6
[M+CH3COO]- 342.10742 204.9
[M+Na-2H]- 304.06824 167.0
[M]+ 283.09302 182.8
[M]- 283.09412 182.8
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