CID 82087

1-propanamine, 3-(octadecyloxy)-

Structural Information

Molecular Formula
C21H45NO
SMILES
CCCCCCCCCCCCCCCCCCOCCCN
InChI
InChI=1S/C21H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h2-22H2,1H3
InChIKey
GWOUPOJUVSKJCH-UHFFFAOYSA-N
Compound name
3-octadecoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

622
Patents

327.35013 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.357406 193.3
[M+Na]+ 350.339348 193.3
[M-H]- 326.342854 190.0
[M+NH4]+ 345.383953 207.0
[M+K]+ 366.313288 189.2
[M+H-H2O]+ 310.347390 185.4
[M+HCOO]- 372.348331 212.7
[M+CH3COO]- 386.363981 218.5
[M+Na-2H]- 348.324796 191.5
[M]+ 327.34958142 199.9
[M]- 327.35067858 199.9
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