CID 66964

Stearyldimethylethylammonium ethyl sulfate

Structural Information

Molecular Formula
C22H48N
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CC
InChI
InChI=1S/C22H48N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2/h5-22H2,1-4H3/q+1
InChIKey
WUUOYCPDGWDPRO-UHFFFAOYSA-N
Compound name
ethyl-dimethyl-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1037
Patents

326.37866 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.38594 193.7
[M+Na]+ 349.36788 194.5
[M-H]- 325.37138 193.0
[M+NH4]+ 344.41248 208.8
[M+K]+ 365.34182 185.7
[M+H-H2O]+ 309.37592 189.4
[M+HCOO]- 371.37686 212.8
[M+CH3COO]- 385.39251 217.3
[M+Na-2H]- 347.35333 196.0
[M]+ 326.37811 200.1
[M]- 326.37921 200.1
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