CID 7880

Dimethyldioctadecylammonium

Structural Information

Molecular Formula
C38H80N
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C38H80N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-38H2,1-4H3/q+1
InChIKey
OGQYPPBGSLZBEG-UHFFFAOYSA-N
Compound name
dimethyl(dioctadecyl)azanium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

535
References

120076
Patents

550.6291 Da
Monoisotopic Mass

17.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.63638 277.4
[M+Na]+ 573.61832 282.5
[M-H]- 549.62182 258.5
[M+NH4]+ 568.66292 274.1
[M+K]+ 589.59226 283.3
[M+H-H2O]+ 533.62636 269.0
[M+HCOO]- 595.62730 288.6
[M+CH3COO]- 609.64295 263.8
[M+Na-2H]- 571.60377 258.6
[M]+ 550.62855 277.0
[M]- 550.62965 277.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe