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
1
Annotation Hits

0
References

0
Patents

366.3974 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.40468 208.0
[M+Na]+ 389.38662 206.7
[M-H]- 365.39012 207.7
[M+NH4]+ 384.43122 221.4
[M+K]+ 405.36056 203.8
[M+H-H2O]+ 349.39466 199.0
[M+HCOO]- 411.39560 229.0
[M+CH3COO]- 425.41125 236.4
[M+Na-2H]- 387.37207 204.3
[M]+ 366.39685 216.2
[M]- 366.39795 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.