CID 86302

1-methoxy-3-(3-methoxypropoxy)propane

Structural Information

Molecular Formula
C8H18O3
SMILES
COCCCOCCCOC
InChI
InChI=1S/C8H18O3/c1-9-5-3-7-11-8-4-6-10-2/h3-8H2,1-2H3
InChIKey
KWDCKLXGUZOEGM-UHFFFAOYSA-N
Compound name
1-methoxy-3-(3-methoxypropoxy)propane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

1554
Patents

162.1256 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.13288 136.8
[M+Na]+ 185.11482 143.1
[M-H]- 161.11832 136.7
[M+NH4]+ 180.15942 157.8
[M+K]+ 201.08876 143.9
[M+H-H2O]+ 145.12286 131.6
[M+HCOO]- 207.12380 160.7
[M+CH3COO]- 221.13945 179.2
[M+Na-2H]- 183.10027 142.9
[M]+ 162.12505 143.3
[M]- 162.12615 143.3
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