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

220
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

literature stripe

Patent stripe

patents stripe