CID 4176415

157782-12-2

Structural Information

Molecular Formula
C33H72N2
SMILES
CCCCCCCCCCCCCC[N+](C)(C)C[N+](C)(C)CCCCCCCCCCCCCC
InChI
InChI=1S/C33H72N2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-34(3,4)33-35(5,6)32-30-28-26-24-22-20-18-16-14-12-10-8-2/h7-33H2,1-6H3/q+2
InChIKey
FKRVFDWLQUVAMF-UHFFFAOYSA-N
Compound name
[dimethyl(tetradecyl)azaniumyl]methyl-dimethyl-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

496.56955 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.57683 279.4
[M+Na]+ 519.55877 285.5
[M-H]- 495.56227 267.9
[M+NH4]+ 514.60337 278.1
[M+K]+ 535.53271 283.0
[M+H-H2O]+ 479.56681 265.4
[M+HCOO]- 541.56775 296.0
[M+CH3COO]- 555.58340 251.1
[M+Na-2H]- 517.54422 262.1
[M]+ 496.56900 278.3
[M]- 496.57010 278.3
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