CID 18761999

2-n-octyl-1-dodecylamine

Structural Information

Molecular Formula
C20H43N
SMILES
CCCCCCCCCCC(CCCCCCCC)CN
InChI
InChI=1S/C20H43N/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20H,3-19,21H2,1-2H3
InChIKey
VDNQHHBRKZQBPY-UHFFFAOYSA-N
Compound name
2-octyldodecan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

297.33954 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.34682 187.5
[M+Na]+ 320.32876 187.8
[M-H]- 296.33226 184.6
[M+NH4]+ 315.37336 202.4
[M+K]+ 336.30270 183.9
[M+H-H2O]+ 280.33680 180.1
[M+HCOO]- 342.33774 206.0
[M+CH3COO]- 356.35339 214.4
[M+Na-2H]- 318.31421 184.9
[M]+ 297.33899 191.6
[M]- 297.34009 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

No patent data available for this compound.