CID 109722

N-(3-(tetradecyloxy)propyl)-1,3-propanediamine

Structural Information

Molecular Formula
C20H44N2O
SMILES
CCCCCCCCCCCCCCOCCCNCCCN
InChI
InChI=1S/C20H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-23-20-15-18-22-17-14-16-21/h22H,2-21H2,1H3
InChIKey
MUCWVNRLUFHAFJ-UHFFFAOYSA-N
Compound name
N'-(3-tetradecoxypropyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

328.34537 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.35265 191.1
[M+Na]+ 351.33459 190.6
[M-H]- 327.33809 187.9
[M+NH4]+ 346.37919 204.3
[M+K]+ 367.30853 186.8
[M+H-H2O]+ 311.34263 182.8
[M+HCOO]- 373.34357 211.8
[M+CH3COO]- 387.35922 220.4
[M+Na-2H]- 349.32004 190.2
[M]+ 328.34482 196.4
[M]- 328.34592 196.4
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