CID 13628003

1-propanol, 2-(2-ethoxypropoxy)-

Structural Information

Molecular Formula
C8H18O3
SMILES
CCOC(C)COC(C)CO
InChI
InChI=1S/C8H18O3/c1-4-10-8(3)6-11-7(2)5-9/h7-9H,4-6H2,1-3H3
InChIKey
MTVLEKBQSDTQGO-UHFFFAOYSA-N
Compound name
2-(2-ethoxypropoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20854
Patents

162.1256 Da
Monoisotopic Mass

0.2
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

literature stripe

Patent stripe

patents stripe