CID 3022217

Ns00063872

Structural Information

Molecular Formula
C18H38N2O2
SMILES
CCCCCCCCCCCC1N(CCN1CCO)CCO
InChI
InChI=1S/C18H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-18-19(14-16-21)12-13-20(18)15-17-22/h18,21-22H,2-17H2,1H3
InChIKey
XKTAIDMHDDCLOI-UHFFFAOYSA-N
Compound name
2-[3-(2-hydroxyethyl)-2-undecylimidazolidin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.29333 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.300606 185.0
[M+Na]+ 337.282548 187.2
[M-H]- 313.286054 180.9
[M+NH4]+ 332.327153 197.6
[M+K]+ 353.256488 182.9
[M+H-H2O]+ 297.290590 176.6
[M+HCOO]- 359.291531 199.1
[M+CH3COO]- 373.307181 205.5
[M+Na-2H]- 335.267996 181.7
[M]+ 314.29278142 186.9
[M]- 314.29387858 186.9
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

No patent data available for this compound.