CID 18761999

2-octyldodecan-1-amine

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

397
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 184.5
[M+Na]+ 320.32876 191.2
[M+NH4]+ 315.37336 190.7
[M+K]+ 336.30270 182.4
[M-H]- 296.33226 184.4
[M+Na-2H]- 318.31421 184.8
[M]+ 297.33899 185.1
[M]- 297.34009 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe