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]+ 161.153606 140.4
[M+Na]+ 183.135548 145.5
[M-H]- 159.139054 138.9
[M+NH4]+ 178.180153 160.7
[M+K]+ 199.109488 145.5
[M+H-H2O]+ 143.143590 135.6
[M+HCOO]- 205.144531 160.2
[M+CH3COO]- 219.160181 179.2
[M+Na-2H]- 181.120996 142.8
[M]+ 160.14578142 142.5
[M]- 160.14687858 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.