CID 78202

N-methyldioctylamine

Structural Information

Molecular Formula
C17H37N
SMILES
CCCCCCCCN(C)CCCCCCCC
InChI
InChI=1S/C17H37N/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h4-17H2,1-3H3
InChIKey
YJLYANLCNIKXMG-UHFFFAOYSA-N
Compound name
N-methyl-N-octyloctan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

6489
Patents

255.2926 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.299876 173.6
[M+Na]+ 278.281818 175.5
[M-H]- 254.285324 173.2
[M+NH4]+ 273.326423 191.2
[M+K]+ 294.255758 173.8
[M+H-H2O]+ 238.289860 166.5
[M+HCOO]- 300.290801 195.2
[M+CH3COO]- 314.306451 208.9
[M+Na-2H]- 276.267266 174.1
[M]+ 255.29205142 179.5
[M]- 255.29314858 179.5
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