CID 131752735

Propylene glycol alginate

Structural Information

Molecular Formula
C17H28O13
SMILES
CC1C(C(C(OC1C(=O)OCC(C)O)OC2C(C(C(OC2C(=O)O)OC)O)O)O)O
InChI
InChI=1S/C17H28O13/c1-5(18)4-27-15(25)11-6(2)7(19)9(21)17(28-11)29-12-8(20)10(22)16(26-3)30-13(12)14(23)24/h5-13,16-22H,4H2,1-3H3,(H,23,24)
InChIKey
HDSBZMRLPLPFLQ-UHFFFAOYSA-N
Compound name
3-[3,4-dihydroxy-6-(2-hydroxypropoxycarbonyl)-5-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

69
References

39189
Patents

440.15298 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.16026 194.5
[M+Na]+ 463.14220 197.0
[M+NH4]+ 458.18680 193.2
[M+K]+ 479.11614 201.7
[M-H]- 439.14570 191.5
[M+Na-2H]- 461.12765 187.2
[M]+ 440.15243 192.9
[M]- 440.15353 192.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe