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
5
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]+ 161.153606 139.5
[M+Na]+ 183.135548 145.1
[M-H]- 159.139054 139.5
[M+NH4]+ 178.180153 160.6
[M+K]+ 199.109488 146.0
[M+H-H2O]+ 143.143590 134.6
[M+HCOO]- 205.144531 160.9
[M+CH3COO]- 219.160181 182.0
[M+Na-2H]- 181.120996 142.5
[M]+ 160.14578142 143.6
[M]- 160.14687858 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