CID 59535

102571-42-6

Structural Information

Molecular Formula
C16H36NO2
SMILES
CCCCCCCCCCC[N+](C)(CCO)CCO
InChI
InChI=1S/C16H36NO2/c1-3-4-5-6-7-8-9-10-11-12-17(2,13-15-18)14-16-19/h18-19H,3-16H2,1-2H3/q+1
InChIKey
YZJHRQMTMWWMEX-UHFFFAOYSA-N
Compound name
bis(2-hydroxyethyl)-methyl-undecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

274.2746 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.28188 173.0
[M+Na]+ 297.26382 175.2
[M-H]- 273.26732 170.5
[M+NH4]+ 292.30842 188.6
[M+K]+ 313.23776 167.0
[M+H-H2O]+ 257.27186 169.9
[M+HCOO]- 319.27280 191.5
[M+CH3COO]- 333.28845 197.2
[M+Na-2H]- 295.24927 177.7
[M]+ 274.27405 176.0
[M]- 274.27515 176.0
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