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

779
Patents

479.543 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.55028 243.3
[M+Na]+ 502.53222 238.5
[M-H]- 478.53572 236.7
[M+NH4]+ 497.57682 252.7
[M+K]+ 518.50616 232.5
[M+H-H2O]+ 462.54026 233.1
[M+HCOO]- 524.54120 261.4
[M+CH3COO]- 538.55685 255.7
[M+Na-2H]- 500.51767 235.4
[M]+ 479.54245 255.0
[M]- 479.54355 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