CID 113757

63716-41-6

Structural Information

Molecular Formula
C9H20O2
SMILES
CCCC(CC)OC(C)CO
InChI
InChI=1S/C9H20O2/c1-4-6-9(5-2)11-8(3)7-10/h8-10H,4-7H2,1-3H3
InChIKey
OUNGUQCWULFDFV-UHFFFAOYSA-N
Compound name
2-hexan-3-yloxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.14633 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.15361 140.4
[M+Na]+ 183.13555 145.5
[M-H]- 159.13905 138.9
[M+NH4]+ 178.18015 160.7
[M+K]+ 199.10949 145.5
[M+H-H2O]+ 143.14359 135.6
[M+HCOO]- 205.14453 160.2
[M+CH3COO]- 219.16018 179.2
[M+Na-2H]- 181.12100 142.8
[M]+ 160.14578 142.5
[M]- 160.14688 142.5
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

No patent data available for this compound.