CID 165768

9051-49-4

Structural Information

Molecular Formula
C17H36O8
SMILES
C(CO)COCC(COCCCO)(COCCCO)COCCCO
InChI
InChI=1S/C17H36O8/c18-5-1-9-22-13-17(14-23-10-2-6-19,15-24-11-3-7-20)16-25-12-4-8-21/h18-21H,1-16H2
InChIKey
AZEOMCMPNPXNDQ-UHFFFAOYSA-N
Compound name
3-[3-(3-hydroxypropoxy)-2,2-bis(3-hydroxypropoxymethyl)propoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

368.24103 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.24831 189.0
[M+Na]+ 391.23025 189.4
[M-H]- 367.23375 181.4
[M+NH4]+ 386.27485 189.0
[M+K]+ 407.20419 187.7
[M+H-H2O]+ 351.23829 182.1
[M+HCOO]- 413.23923 205.6
[M+CH3COO]- 427.25488 206.6
[M+Na-2H]- 389.21570 190.1
[M]+ 368.24048 197.9
[M]- 368.24158 197.9
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