CID 41766

2,2'-((1-methyltridecyl)imino)bisethanol hydrochloride

Structural Information

Molecular Formula
C18H39NO2
SMILES
CCCCCCCCCCCCC(C)N(CCO)CCO
InChI
InChI=1S/C18H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-18(2)19(14-16-20)15-17-21/h18,20-21H,3-17H2,1-2H3
InChIKey
VIGPKMHSXLRLJO-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl(tetradecan-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.29807 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.30535 185.3
[M+Na]+ 324.28729 185.7
[M-H]- 300.29079 181.9
[M+NH4]+ 319.33189 199.5
[M+K]+ 340.26123 183.3
[M+H-H2O]+ 284.29533 178.2
[M+HCOO]- 346.29627 203.1
[M+CH3COO]- 360.31192 211.0
[M+Na-2H]- 322.27274 183.1
[M]+ 301.29752 190.0
[M]- 301.29862 190.0
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