CID 4671051

N,n-didodecylaniline

Structural Information

Molecular Formula
C30H55N
SMILES
CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC=CC=C1
InChI
InChI=1S/C30H55N/c1-3-5-7-9-11-13-15-17-19-24-28-31(30-26-22-21-23-27-30)29-25-20-18-16-14-12-10-8-6-4-2/h21-23,26-27H,3-20,24-25,28-29H2,1-2H3
InChIKey
XJEPUDKDCKLTSL-UHFFFAOYSA-N
Compound name
N,N-didodecylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

203
Patents

429.43344 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.44072 223.5
[M+Na]+ 452.42266 221.0
[M-H]- 428.42616 224.0
[M+NH4]+ 447.46726 233.4
[M+K]+ 468.39660 215.1
[M+H-H2O]+ 412.43070 212.9
[M+HCOO]- 474.43164 242.2
[M+CH3COO]- 488.44729 242.4
[M+Na-2H]- 450.40811 219.6
[M]+ 429.43289 231.4
[M]- 429.43399 231.4
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.