CID 10130118

1-(2-ethoxy-1-methylethoxy)-2-propanol

Structural Information

Molecular Formula
C8H18O3
SMILES
CCOCC(C)OCC(C)O
InChI
InChI=1S/C8H18O3/c1-4-10-6-8(3)11-5-7(2)9/h7-9H,4-6H2,1-3H3
InChIKey
QNFOREOOFJCKMI-UHFFFAOYSA-N
Compound name
1-(1-ethoxypropan-2-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16892
Patents

162.1256 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.132876 138.6
[M+Na]+ 185.114818 144.1
[M-H]- 161.118324 137.2
[M+NH4]+ 180.159423 158.7
[M+K]+ 201.088758 144.7
[M+H-H2O]+ 145.122860 133.7
[M+HCOO]- 207.123801 158.9
[M+CH3COO]- 221.139451 178.2
[M+Na-2H]- 183.100266 141.5
[M]+ 162.12505142 141.8
[M]- 162.12614858 141.8
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