CID 92691

Diisotridecylamine

Structural Information

Molecular Formula
C26H55N
SMILES
CC(C)CCCCCCCCCCNCCCCCCCCCCC(C)C
InChI
InChI=1S/C26H55N/c1-25(2)21-17-13-9-5-7-11-15-19-23-27-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-27H,5-24H2,1-4H3
InChIKey
YOFPVMWVLDSWKR-UHFFFAOYSA-N
Compound name
11-methyl-N-(11-methyldodecyl)dodecan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

596
Patents

381.43344 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.44072 214.7
[M+Na]+ 404.42266 212.2
[M-H]- 380.42616 211.1
[M+NH4]+ 399.46726 226.4
[M+K]+ 420.39660 207.6
[M+H-H2O]+ 364.43070 206.2
[M+HCOO]- 426.43164 230.7
[M+CH3COO]- 440.44729 233.5
[M+Na-2H]- 402.40811 208.6
[M]+ 381.43289 221.4
[M]- 381.43399 221.4
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