CID 41088

1-(2-butoxyethoxy)ethanol

Structural Information

Molecular Formula
C8H18O3
SMILES
CCCCOCCOC(C)O
InChI
InChI=1S/C8H18O3/c1-3-4-5-10-6-7-11-8(2)9/h8-9H,3-7H2,1-2H3
InChIKey
ZNQOETZUGRUONW-UHFFFAOYSA-N
Compound name
1-(2-butoxyethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1188
Patents

162.1256 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.132876 138.2
[M+Na]+ 185.114818 143.9
[M-H]- 161.118324 136.7
[M+NH4]+ 180.159423 158.4
[M+K]+ 201.088758 144.1
[M+H-H2O]+ 145.122860 133.3
[M+HCOO]- 207.123801 159.6
[M+CH3COO]- 221.139451 177.3
[M+Na-2H]- 183.100266 142.4
[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

literature stripe

Patent stripe

patents stripe