CID 13685699

Triundecylamine

Structural Information

Molecular Formula
C33H69N
SMILES
CCCCCCCCCCCN(CCCCCCCCCCC)CCCCCCCCCCC
InChI
InChI=1S/C33H69N/c1-4-7-10-13-16-19-22-25-28-31-34(32-29-26-23-20-17-14-11-8-5-2)33-30-27-24-21-18-15-12-9-6-3/h4-33H2,1-3H3
InChIKey
JEIFGNLZAYFLFL-UHFFFAOYSA-N
Compound name
N,N-di(undecyl)undecan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

626
Patents

479.543 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.550276 243.3
[M+Na]+ 502.532218 238.5
[M-H]- 478.535724 236.7
[M+NH4]+ 497.576823 252.7
[M+K]+ 518.506158 232.5
[M+H-H2O]+ 462.540260 233.1
[M+HCOO]- 524.541201 261.4
[M+CH3COO]- 538.556851 255.7
[M+Na-2H]- 500.517666 235.4
[M]+ 479.54245142 255.0
[M]- 479.54354858 255.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe