CID 6437658

Einecs 272-103-0

Structural Information

Molecular Formula
C24H50N2
SMILES
CCCCCCCC/C=C\CCCCCCCCN(C)CCCN(C)C
InChI
InChI=1S/C24H50N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(4)24-21-22-25(2)3/h12-13H,5-11,14-24H2,1-4H3/b13-12-
InChIKey
BTLOXYBWVZTCMD-SEYXRHQNSA-N
Compound name
N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

366.3974 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.404676 208.0
[M+Na]+ 389.386618 206.7
[M-H]- 365.390124 207.7
[M+NH4]+ 384.431223 221.4
[M+K]+ 405.360558 203.8
[M+H-H2O]+ 349.394660 199.0
[M+HCOO]- 411.395601 229.0
[M+CH3COO]- 425.411251 236.4
[M+Na-2H]- 387.372066 204.3
[M]+ 366.39685142 216.2
[M]- 366.39794858 216.2
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.