CID 21917628

Dodecylhexadecyltrimonium chloride

Structural Information

Molecular Formula
C31H66N
SMILES
CCCCCCCCCCCCCCC(CCCCCCCCCCCC)C[N+](C)(C)C
InChI
InChI=1S/C31H66N/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31(30-32(3,4)5)28-26-24-22-20-17-15-13-11-9-7-2/h31H,6-30H2,1-5H3/q+1
InChIKey
YXLNHPDPWOLYOK-UHFFFAOYSA-N
Compound name
2-dodecylhexadecyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

447
Patents

452.51953 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.52681 230.6
[M+Na]+ 475.50875 238.0
[M+NH4]+ 470.55335 207.9
[M+K]+ 491.48269 251.3
[M-H]- 451.51225 232.1
[M+Na-2H]- 473.49420 230.4
[M]+ 452.51898 232.4
[M]- 452.52008 232.4
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