CID 23815283

2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid

Structural Information

Molecular Formula
C20H34O7
SMILES
CC(CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O)O
InChI
InChI=1S/C20H34O7/c1-11(21)9-15-5-8-18(26-15)14(4)20(24)25-12(2)10-16-6-7-17(27-16)13(3)19(22)23/h11-18,21H,5-10H2,1-4H3,(H,22,23)
InChIKey
VIHRKOVEWCGJQP-UHFFFAOYSA-N
Compound name
2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

386.23044 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.237716 198.1
[M+Na]+ 409.219658 197.0
[M-H]- 385.223164 201.6
[M+NH4]+ 404.264263 208.1
[M+K]+ 425.193598 199.1
[M+H-H2O]+ 369.227700 193.2
[M+HCOO]- 431.228641 206.9
[M+CH3COO]- 445.244291 217.4
[M+Na-2H]- 407.205106 188.0
[M]+ 386.22989142 198.3
[M]- 386.23098858 198.3
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