CID 84589

1-propanamine, 3-(tridecyloxy)-

Structural Information

Molecular Formula
C16H35NO
SMILES
CCCCCCCCCCCCCOCCCN
InChI
InChI=1S/C16H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h2-17H2,1H3
InChIKey
JPNCZSADMGXVPA-UHFFFAOYSA-N
Compound name
3-tridecoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

605
Patents

257.27185 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.27913 171.4
[M+Na]+ 280.26107 173.5
[M-H]- 256.26457 169.1
[M+NH4]+ 275.30567 188.0
[M+K]+ 296.23501 170.8
[M+H-H2O]+ 240.26911 164.5
[M+HCOO]- 302.27005 192.5
[M+CH3COO]- 316.28570 203.6
[M+Na-2H]- 278.24652 172.3
[M]+ 257.27130 176.1
[M]- 257.27240 176.1
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