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

16
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 182.1
[M+Na]+ 325.295118 183.4
[M-H]- 301.298624 179.1
[M+NH4]+ 320.339723 196.5
[M+K]+ 341.269058 174.7
[M+H-H2O]+ 285.303160 178.6
[M+HCOO]- 347.304101 199.9
[M+CH3COO]- 361.319751 203.2
[M+Na-2H]- 323.280566 185.8
[M]+ 302.30535142 185.9
[M]- 302.30644858 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