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

6
Patents

619.6267 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.633976 279.2
[M+Na]+ 642.615918 286.7
[M-H]- 618.619424 262.5
[M+NH4]+ 637.660523 280.6
[M+K]+ 658.589858 289.0
[M+H-H2O]+ 602.623960 278.7
[M+HCOO]- 664.624901 282.4
[M+CH3COO]- 678.640551 279.2
[M+Na-2H]- 640.601366 261.5
[M]+ 619.62615142 278.1
[M]- 619.62724858 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

patents stripe