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

7875
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 120.4
[M+Na]+ 127.07295 127.8
[M-H]- 103.07645 121.0
[M+NH4]+ 122.11755 143.7
[M+K]+ 143.04689 129.4
[M+H-H2O]+ 87.080990 116.2
[M+HCOO]- 149.08193 144.0
[M+CH3COO]- 163.09758 169.0
[M+Na-2H]- 125.05840 126.8
[M]+ 104.08318 123.6
[M]- 104.08428 123.6
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