CID 85087

3-(3-ethoxypropoxy)propan-1-ol

Structural Information

Molecular Formula
C8H18O3
SMILES
CCOCCCOCCCO
InChI
InChI=1S/C8H18O3/c1-2-10-7-4-8-11-6-3-5-9/h9H,2-8H2,1H3
InChIKey
VKCROHJIGLNYSC-UHFFFAOYSA-N
Compound name
3-(3-ethoxypropoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

186
Patents

162.1256 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.132876 137.5
[M+Na]+ 185.114818 143.4
[M-H]- 161.118324 135.9
[M+NH4]+ 180.159423 157.7
[M+K]+ 201.088758 143.2
[M+H-H2O]+ 145.122860 132.5
[M+HCOO]- 207.123801 159.9
[M+CH3COO]- 221.139451 176.5
[M+Na-2H]- 183.100266 143.0
[M]+ 162.12505142 142.0
[M]- 162.12614858 142.0
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