CID 20859

1,1-dimethoxypropane

Structural Information

Molecular Formula
C5H12O2
SMILES
CCC(OC)OC
InChI
InChI=1S/C5H12O2/c1-4-5(6-2)7-3/h5H,4H2,1-3H3
InChIKey
UIOXNNAWANDJCZ-UHFFFAOYSA-N
Compound name
1,1-dimethoxypropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2552
Patents

104.08373 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.09101 119.8
[M+Na]+ 127.07295 130.3
[M+NH4]+ 122.11755 128.1
[M+K]+ 143.04689 125.5
[M-H]- 103.07645 119.3
[M+Na-2H]- 125.05840 124.0
[M]+ 104.08318 121.0
[M]- 104.08428 121.0
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