CID 19599077

Ns00052772

Structural Information

Molecular Formula
C18H36N2O3
SMILES
CCCCCCCCCCCC1N(CCN1CC(=O)O)CCO
InChI
InChI=1S/C18H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-17-19(14-15-21)12-13-20(17)16-18(22)23/h17,21H,2-16H2,1H3,(H,22,23)
InChIKey
ZGQCTKIMCZFCBZ-UHFFFAOYSA-N
Compound name
2-[3-(2-hydroxyethyl)-2-undecylimidazolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

328.27258 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.279856 187.0
[M+Na]+ 351.261798 189.1
[M-H]- 327.265304 183.0
[M+NH4]+ 346.306403 198.8
[M+K]+ 367.235738 185.2
[M+H-H2O]+ 311.269840 178.7
[M+HCOO]- 373.270781 200.5
[M+CH3COO]- 387.286431 207.6
[M+Na-2H]- 349.247246 182.6
[M]+ 328.27203142 188.9
[M]- 328.27312858 188.9
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