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

11
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 149.0
[M+Na]+ 229.14103 155.0
[M-H]- 205.14453 148.8
[M+NH4]+ 224.18563 168.4
[M+K]+ 245.11497 156.1
[M+H-H2O]+ 189.14907 143.9
[M+HCOO]- 251.15001 171.0
[M+CH3COO]- 265.16566 187.6
[M+Na-2H]- 227.12648 154.9
[M]+ 206.15126 157.3
[M]- 206.15236 157.3
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