CID 97102276

1,2(r)-dioleyloxy-3-dimethylamino-propane

Structural Information

Molecular Formula
C41H81NO2
SMILES
CCCCCCCC/C=C\CCCCCCCCOC[C@@H](CN(C)C)OCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C41H81NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-40-41(39-42(3)4)44-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41H,5-18,23-40H2,1-4H3/b21-19-,22-20-/t41-/m1/s1
InChIKey
GLGLUQVVDHRLQK-UNUIOPIBSA-N
Compound name
(2R)-N,N-dimethyl-2,3-bis[(Z)-octadec-9-enoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

619.6267 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.63398 276.4
[M+Na]+ 642.61592 279.5
[M+NH4]+ 637.66052 276.5
[M+K]+ 658.58986 278.5
[M-H]- 618.61942 259.2
[M+Na-2H]- 640.60137 273.7
[M]+ 619.62615 272.4
[M]- 619.62725 272.4
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.