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
1
Annotation Hits

0
References

499
Patents

327.35013 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.35741 193.3
[M+Na]+ 350.33935 193.3
[M-H]- 326.34285 190.0
[M+NH4]+ 345.38395 207.0
[M+K]+ 366.31329 189.2
[M+H-H2O]+ 310.34739 185.4
[M+HCOO]- 372.34833 212.7
[M+CH3COO]- 386.36398 218.5
[M+Na-2H]- 348.32480 191.5
[M]+ 327.34958 199.9
[M]- 327.35068 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