CID 67147

1,1,3,3-tetraethoxypropane

Structural Information

Molecular Formula
C11H24O4
SMILES
CCOC(CC(OCC)OCC)OCC
InChI
InChI=1S/C11H24O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h10-11H,5-9H2,1-4H3
InChIKey
KVJHGPAAOUGYJX-UHFFFAOYSA-N
Compound name
1,1,3,3-tetraethoxypropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

78
References

1733
Patents

220.16747 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.174746 154.5
[M+Na]+ 243.156688 159.1
[M-H]- 219.160194 154.0
[M+NH4]+ 238.201293 173.0
[M+K]+ 259.130628 160.5
[M+H-H2O]+ 203.164730 148.7
[M+HCOO]- 265.165671 175.7
[M+CH3COO]- 279.181321 191.8
[M+Na-2H]- 241.142136 156.4
[M]+ 220.16692142 162.3
[M]- 220.16801858 162.3
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