CID 106643

N-(3-pentadecyloxypropyl)-1,3-propylenediamine

Structural Information

Molecular Formula
C21H46N2O
SMILES
CCCCCCCCCCCCCCCOCCCNCCCN
InChI
InChI=1S/C21H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-24-21-16-19-23-18-15-17-22/h23H,2-22H2,1H3
InChIKey
PUKQYCOBAZVBIG-UHFFFAOYSA-N
Compound name
N'-(3-pentadecoxypropyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

342.36102 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.36830 195.3
[M+Na]+ 365.35024 194.4
[M-H]- 341.35374 191.9
[M+NH4]+ 360.39484 208.0
[M+K]+ 381.32418 190.4
[M+H-H2O]+ 325.35828 186.8
[M+HCOO]- 387.35922 215.7
[M+CH3COO]- 401.37487 223.4
[M+Na-2H]- 363.33569 194.0
[M]+ 342.36047 201.1
[M]- 342.36157 201.1
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