CID 97102276

666234-78-2

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 279.2
[M+Na]+ 642.61592 286.7
[M-H]- 618.61942 262.5
[M+NH4]+ 637.66052 280.6
[M+K]+ 658.58986 289.0
[M+H-H2O]+ 602.62396 278.7
[M+HCOO]- 664.62490 282.4
[M+CH3COO]- 678.64055 279.2
[M+Na-2H]- 640.60137 261.5
[M]+ 619.62615 278.1
[M]- 619.62725 278.1
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.