CID 407819

29481-59-2

Structural Information

Molecular Formula
C18H40N
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCC
InChI
InChI=1S/C18H40N/c1-5-7-9-10-11-12-13-14-15-16-18-19(3,4)17-8-6-2/h5-18H2,1-4H3/q+1
InChIKey
VQRZNCVKGHWIHL-UHFFFAOYSA-N
Compound name
butyl-dodecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

270.31607 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.323346 175.4
[M+Na]+ 293.305288 177.8
[M-H]- 269.308794 175.4
[M+NH4]+ 288.349893 192.7
[M+K]+ 309.279228 170.1
[M+H-H2O]+ 253.313330 171.9
[M+HCOO]- 315.314271 195.8
[M+CH3COO]- 329.329921 205.3
[M+Na-2H]- 291.290736 179.8
[M]+ 270.31552142 180.2
[M]- 270.31661858 180.2
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

patents stripe