CID 59554

102583-74-4

Structural Information

Molecular Formula
C18H40NO2
SMILES
CCCCCCCCCCCCC[N+](C)(CCO)CCO
InChI
InChI=1S/C18H40NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(2,15-17-20)16-18-21/h20-21H,3-18H2,1-2H3/q+1
InChIKey
GFEJKOVFHYXTMP-UHFFFAOYSA-N
Compound name
bis(2-hydroxyethyl)-methyl-tridecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

302.3059 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.31318 182.1
[M+Na]+ 325.29512 183.4
[M-H]- 301.29862 179.1
[M+NH4]+ 320.33972 196.5
[M+K]+ 341.26906 174.7
[M+H-H2O]+ 285.30316 178.6
[M+HCOO]- 347.30410 199.9
[M+CH3COO]- 361.31975 203.2
[M+Na-2H]- 323.28057 185.8
[M]+ 302.30535 185.9
[M]- 302.30645 185.9
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