CID 82087

3-(octadecyloxy)propylamine

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

472
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 191.1
[M+Na]+ 350.33935 197.6
[M+NH4]+ 345.38395 196.7
[M+K]+ 366.31329 188.2
[M-H]- 326.34285 190.7
[M+Na-2H]- 348.32480 191.1
[M]+ 327.34958 191.6
[M]- 327.35068 191.6
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