CID 137295

Trinonylamine

Structural Information

Molecular Formula
C27H57N
SMILES
CCCCCCCCCN(CCCCCCCCC)CCCCCCCCC
InChI
InChI=1S/C27H57N/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-27H2,1-3H3
InChIKey
ZQJAONQEOXOVNR-UHFFFAOYSA-N
Compound name
N,N-di(nonyl)nonan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10201
Patents

395.4491 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.45638 217.8
[M+Na]+ 418.43832 215.6
[M-H]- 394.44182 215.4
[M+NH4]+ 413.48292 229.7
[M+K]+ 434.41226 211.1
[M+H-H2O]+ 378.44636 208.8
[M+HCOO]- 440.44730 236.0
[M+CH3COO]- 454.46295 238.4
[M+Na-2H]- 416.42377 213.0
[M]+ 395.44855 227.5
[M]- 395.44965 227.5
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