CID 3087544

115039-99-1

Structural Information

Molecular Formula
C18H33NO4
SMILES
CCN(CC)CCOC(=O)C(CC1CCCO1)CC2CCCO2
InChI
InChI=1S/C18H33NO4/c1-3-19(4-2)9-12-23-18(20)15(13-16-7-5-10-21-16)14-17-8-6-11-22-17/h15-17H,3-14H2,1-2H3
InChIKey
QYYFSXHGIZVSCV-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.24097 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.248246 187.5
[M+Na]+ 350.230188 186.7
[M-H]- 326.233694 194.2
[M+NH4]+ 345.274793 201.6
[M+K]+ 366.204128 188.7
[M+H-H2O]+ 310.238230 180.4
[M+HCOO]- 372.239171 204.6
[M+CH3COO]- 386.254821 212.4
[M+Na-2H]- 348.215636 183.6
[M]+ 327.24042142 189.0
[M]- 327.24151858 189.0
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