CID 66019

1,1,3,3-tetramethoxypropane

Structural Information

Molecular Formula
C7H16O4
SMILES
COC(CC(OC)OC)OC
InChI
InChI=1S/C7H16O4/c1-8-6(9-2)5-7(10-3)11-4/h6-7H,5H2,1-4H3
InChIKey
XHTYQFMRBQUCPX-UHFFFAOYSA-N
Compound name
1,1,3,3-tetramethoxypropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

72
References

4011
Patents

164.10486 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.112136 135.7
[M+Na]+ 187.094078 142.0
[M-H]- 163.097584 135.9
[M+NH4]+ 182.138683 156.4
[M+K]+ 203.068018 144.3
[M+H-H2O]+ 147.102120 130.6
[M+HCOO]- 209.103061 158.2
[M+CH3COO]- 223.118711 179.9
[M+Na-2H]- 185.079526 139.8
[M]+ 164.10431142 141.9
[M]- 164.10540858 141.9
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