CID 77709

N-methyldioctadecylamine

Structural Information

Molecular Formula
C37H77N
SMILES
CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C37H77N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3
InChIKey
VFLWKHBYVIUAMP-UHFFFAOYSA-N
Compound name
N-methyl-N-octadecyloctadecan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7952
Patents

535.6056 Da
Monoisotopic Mass

17.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.61288 268.8
[M+Na]+ 558.59482 276.3
[M-H]- 534.59832 249.1
[M+NH4]+ 553.63942 266.5
[M+K]+ 574.56876 277.4
[M+H-H2O]+ 518.60286 267.6
[M+HCOO]- 580.60380 273.9
[M+CH3COO]- 594.61945 267.0
[M+Na-2H]- 556.58027 251.7
[M]+ 535.60505 268.5
[M]- 535.60615 268.5
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