CID 53422438

1-ethoxy-2-methyl-1-propoxypropane

Structural Information

Molecular Formula
C9H20O2
SMILES
CCCOC(C(C)C)OCC
InChI
InChI=1S/C9H20O2/c1-5-7-11-9(8(3)4)10-6-2/h8-9H,5-7H2,1-4H3
InChIKey
CTLMNNSGIIMNPA-UHFFFAOYSA-N
Compound name
1-ethoxy-2-methyl-1-propoxypropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4
Patents

160.14633 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.15361 139.5
[M+Na]+ 183.13555 145.1
[M-H]- 159.13905 139.5
[M+NH4]+ 178.18015 160.6
[M+K]+ 199.10949 146.0
[M+H-H2O]+ 143.14359 134.6
[M+HCOO]- 205.14453 160.9
[M+CH3COO]- 219.16018 182.0
[M+Na-2H]- 181.12100 142.5
[M]+ 160.14578 143.6
[M]- 160.14688 143.6
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