CID 92620

56999-16-7

Structural Information

Molecular Formula
C12H26O5
SMILES
CCOC(COCC(OCC)OCC)OCC
InChI
InChI=1S/C12H26O5/c1-5-14-11(15-6-2)9-13-10-12(16-7-3)17-8-4/h11-12H,5-10H2,1-4H3
InChIKey
ISSXEHJFYXCGSK-UHFFFAOYSA-N
Compound name
2-(2,2-diethoxyethoxy)-1,1-diethoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

250.17802 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.18530 161.6
[M+Na]+ 273.16724 165.7
[M-H]- 249.17074 160.8
[M+NH4]+ 268.21184 178.8
[M+K]+ 289.14118 167.3
[M+H-H2O]+ 233.17528 155.3
[M+HCOO]- 295.17622 182.6
[M+CH3COO]- 309.19187 196.7
[M+Na-2H]- 271.15269 163.1
[M]+ 250.17747 171.2
[M]- 250.17857 171.2
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