CID 13128170

1,1,1-triethoxy-3-methoxypropane

Structural Information

Molecular Formula
C10H22O4
SMILES
CCOC(CCOC)(OCC)OCC
InChI
InChI=1S/C10H22O4/c1-5-12-10(13-6-2,14-7-3)8-9-11-4/h5-9H2,1-4H3
InChIKey
ASHZMAOLSNCSOU-UHFFFAOYSA-N
Compound name
1,1,1-triethoxy-3-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

206.15181 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.15909 147.5
[M+Na]+ 229.14103 156.1
[M+NH4]+ 224.18563 153.7
[M+K]+ 245.11497 151.6
[M-H]- 205.14453 145.2
[M+Na-2H]- 227.12648 149.7
[M]+ 206.15126 147.8
[M]- 206.15236 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe