CID 87508

Triisononylamine

Structural Information

Molecular Formula
C27H57N
SMILES
CC(C)CCCCCCN(CCCCCCC(C)C)CCCCCCC(C)C
InChI
InChI=1S/C27H57N/c1-25(2)19-13-7-10-16-22-28(23-17-11-8-14-20-26(3)4)24-18-12-9-15-21-27(5)6/h25-27H,7-24H2,1-6H3
InChIKey
YGLJGOMFUHQSBN-UHFFFAOYSA-N
Compound name
7-methyl-N,N-bis(7-methyloctyl)octan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

355
Patents

395.4491 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.45638 220.7
[M+Na]+ 418.43832 218.0
[M-H]- 394.44182 218.6
[M+NH4]+ 413.48292 232.5
[M+K]+ 434.41226 214.9
[M+H-H2O]+ 378.44636 212.1
[M+HCOO]- 440.44730 236.0
[M+CH3COO]- 454.46295 240.6
[M+Na-2H]- 416.42377 212.1
[M]+ 395.44855 228.4
[M]- 395.44965 228.4
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