CID 87142

Stearoxypropyl dimethylamine

Structural Information

Molecular Formula
C23H49NO
SMILES
CCCCCCCCCCCCCCCCCCOCCCN(C)C
InChI
InChI=1S/C23H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-20-21-24(2)3/h4-23H2,1-3H3
InChIKey
BHQZSXXOSYWJSZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-octadecoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1460
Patents

355.3814 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.38868 203.4
[M+Na]+ 378.37062 202.9
[M-H]- 354.37412 201.8
[M+NH4]+ 373.41522 217.0
[M+K]+ 394.34456 199.9
[M+H-H2O]+ 338.37866 195.0
[M+HCOO]- 400.37960 223.3
[M+CH3COO]- 414.39525 228.5
[M+Na-2H]- 376.35607 200.8
[M]+ 355.38085 213.1
[M]- 355.38195 213.1
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