CID 25058136

5-(2-hydroxyethyl)nonane-1,9-diol

Structural Information

Molecular Formula
C11H24O3
SMILES
C(CCO)CC(CCCCO)CCO
InChI
InChI=1S/C11H24O3/c12-8-3-1-5-11(7-10-14)6-2-4-9-13/h11-14H,1-10H2
InChIKey
VICIXNZSEUYGFV-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethyl)nonane-1,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.17255 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.17983 153.2
[M+Na]+ 227.16177 156.7
[M-H]- 203.16527 148.2
[M+NH4]+ 222.20637 170.1
[M+K]+ 243.13571 154.2
[M+H-H2O]+ 187.16981 148.0
[M+HCOO]- 249.17075 170.4
[M+CH3COO]- 263.18640 181.2
[M+Na-2H]- 225.14722 154.6
[M]+ 204.17200 154.2
[M]- 204.17310 154.2
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