CID 103550

51851-36-6

Structural Information

Molecular Formula
C15H28O6
SMILES
CC(COC(=O)CCCCCCCC(=O)OCC(C)O)O
InChI
InChI=1S/C15H28O6/c1-12(16)10-20-14(18)8-6-4-3-5-7-9-15(19)21-11-13(2)17/h12-13,16-17H,3-11H2,1-2H3
InChIKey
HILXNQDVXRHFJW-UHFFFAOYSA-N
Compound name
bis(2-hydroxypropyl) nonanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

304.1886 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.19588 176.3
[M+Na]+ 327.17782 178.4
[M-H]- 303.18132 172.3
[M+NH4]+ 322.22242 189.5
[M+K]+ 343.15176 178.0
[M+H-H2O]+ 287.18586 170.0
[M+HCOO]- 349.18680 192.0
[M+CH3COO]- 363.20245 201.4
[M+Na-2H]- 325.16327 172.8
[M]+ 304.18805 181.7
[M]- 304.18915 181.7
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