CID 118865

Triisodecylamine

Structural Information

Molecular Formula
C30H63N
SMILES
CC(C)CCCCCCCN(CCCCCCCC(C)C)CCCCCCCC(C)C
InChI
InChI=1S/C30H63N/c1-28(2)22-16-10-7-13-19-25-31(26-20-14-8-11-17-23-29(3)4)27-21-15-9-12-18-24-30(5)6/h28-30H,7-27H2,1-6H3
InChIKey
DLFKJPZBBCZWOO-UHFFFAOYSA-N
Compound name
8-methyl-N,N-bis(8-methylnonyl)nonan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1809
Patents

437.49606 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.50334 233.9
[M+Na]+ 460.48528 229.9
[M-H]- 436.48878 231.2
[M+NH4]+ 455.52988 243.4
[M+K]+ 476.45922 226.1
[M+H-H2O]+ 420.49332 224.8
[M+HCOO]- 482.49426 241.5
[M+CH3COO]- 496.50991 249.2
[M+Na-2H]- 458.47073 223.7
[M]+ 437.49551 242.8
[M]- 437.49661 242.8
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