CID 3023890

94160-20-0

Structural Information

Molecular Formula
C18H40NO2
SMILES
CCCCCCCCCCCC[N+](C)(C)CCOCCO
InChI
InChI=1S/C18H40NO2/c1-4-5-6-7-8-9-10-11-12-13-14-19(2,3)15-17-21-18-16-20/h20H,4-18H2,1-3H3/q+1
InChIKey
SZNWGQDZYCNQJL-UHFFFAOYSA-N
Compound name
dodecyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

302.3059 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.313176 182.2
[M+Na]+ 325.295118 184.0
[M-H]- 301.298624 180.7
[M+NH4]+ 320.339723 197.4
[M+K]+ 341.269058 176.2
[M+H-H2O]+ 285.303160 178.5
[M+HCOO]- 347.304101 201.6
[M+CH3COO]- 361.319751 206.0
[M+Na-2H]- 323.280566 186.3
[M]+ 302.30535142 187.9
[M]- 302.30644858 187.9
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