CID 108237

1-(1-methoxyethoxy)hexane

Structural Information

Molecular Formula
C9H20O2
SMILES
CCCCCCOC(C)OC
InChI
InChI=1S/C9H20O2/c1-4-5-6-7-8-11-9(2)10-3/h9H,4-8H2,1-3H3
InChIKey
COARODKCNGNOQZ-UHFFFAOYSA-N
Compound name
1-(1-methoxyethoxy)hexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

160.14633 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.15361 139.2
[M+Na]+ 183.13555 145.0
[M-H]- 159.13905 139.1
[M+NH4]+ 178.18015 160.3
[M+K]+ 199.10949 145.5
[M+H-H2O]+ 143.14359 134.2
[M+HCOO]- 205.14453 161.6
[M+CH3COO]- 219.16018 181.1
[M+Na-2H]- 181.12100 143.5
[M]+ 160.14578 144.0
[M]- 160.14688 144.0
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