CID 109646

18312-57-7

Structural Information

Molecular Formula
C17H37NO2
SMILES
CCCCCCCCCCCCCN(CCO)CCO
InChI
InChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(14-16-19)15-17-20/h19-20H,2-17H2,1H3
InChIKey
PGNNMVAZUOZRSM-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl(tridecyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

287.28244 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.289716 179.8
[M+Na]+ 310.271658 180.8
[M-H]- 286.275164 176.5
[M+NH4]+ 305.316263 194.6
[M+K]+ 326.245598 178.1
[M+H-H2O]+ 270.279700 172.7
[M+HCOO]- 332.280641 198.9
[M+CH3COO]- 346.296291 207.2
[M+Na-2H]- 308.257106 179.4
[M]+ 287.28189142 184.7
[M]- 287.28298858 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe