CID 3079190

124500-23-8

Structural Information

Molecular Formula
C15H20ClNO4
SMILES
C1C(C(=O)OC1C2=CC=C(C=C2)Cl)CN(CCO)CCO
InChI
InChI=1S/C15H20ClNO4/c16-13-3-1-11(2-4-13)14-9-12(15(20)21-14)10-17(5-7-18)6-8-19/h1-4,12,14,18-19H,5-10H2
InChIKey
QAZONVNJUNYEBM-UHFFFAOYSA-N
Compound name
3-[[bis(2-hydroxyethyl)amino]methyl]-5-(4-chlorophenyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1081 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.115376 172.5
[M+Na]+ 336.097318 178.5
[M-H]- 312.100824 178.2
[M+NH4]+ 331.141923 187.5
[M+K]+ 352.071258 175.2
[M+H-H2O]+ 296.105360 166.4
[M+HCOO]- 358.106301 188.4
[M+CH3COO]- 372.121951 203.7
[M+Na-2H]- 334.082766 172.8
[M]+ 313.10755142 175.6
[M]- 313.10864858 175.6
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.