CID 15763454

N,n-dibutyl-4-ethenylaniline

Structural Information

Molecular Formula
C16H25N
SMILES
CCCCN(CCCC)C1=CC=C(C=C1)C=C
InChI
InChI=1S/C16H25N/c1-4-7-13-17(14-8-5-2)16-11-9-15(6-3)10-12-16/h6,9-12H,3-5,7-8,13-14H2,1-2H3
InChIKey
KAVBRFJCUBOPFC-UHFFFAOYSA-N
Compound name
N,N-dibutyl-4-ethenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

92
Patents

231.1987 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.205976 158.6
[M+Na]+ 254.187918 163.5
[M-H]- 230.191424 162.6
[M+NH4]+ 249.232523 177.2
[M+K]+ 270.161858 160.6
[M+H-H2O]+ 214.195960 151.4
[M+HCOO]- 276.196901 182.5
[M+CH3COO]- 290.212551 201.2
[M+Na-2H]- 252.173366 161.8
[M]+ 231.19815142 161.2
[M]- 231.19924858 161.2
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