CID 113745

1-ethoxy-2-phenoxy-2-propanol monosodium succinate

Structural Information

Molecular Formula
C15H20O6
SMILES
CCOCC(C)(OC1=CC=CC=C1)OC(=O)CCC(=O)O
InChI
InChI=1S/C15H20O6/c1-3-19-11-15(2,20-12-7-5-4-6-8-12)21-14(18)10-9-13(16)17/h4-8H,3,9-11H2,1-2H3,(H,16,17)
InChIKey
JWAYDMVIFOKDKM-UHFFFAOYSA-N
Compound name
4-(1-ethoxy-2-phenoxypropan-2-yl)oxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12598 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.133256 167.6
[M+Na]+ 319.115198 172.0
[M-H]- 295.118704 169.0
[M+NH4]+ 314.159803 181.6
[M+K]+ 335.089138 171.4
[M+H-H2O]+ 279.123240 160.8
[M+HCOO]- 341.124181 186.8
[M+CH3COO]- 355.139831 198.7
[M+Na-2H]- 317.100646 170.8
[M]+ 296.12543142 173.2
[M]- 296.12652858 173.2
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.