CID 104486

1,1-diethoxyundecane

Structural Information

Molecular Formula
C15H32O2
SMILES
CCCCCCCCCCC(OCC)OCC
InChI
InChI=1S/C15H32O2/c1-4-7-8-9-10-11-12-13-14-15(16-5-2)17-6-3/h15H,4-14H2,1-3H3
InChIKey
ZQNOIYUMSNPIGA-UHFFFAOYSA-N
Compound name
1,1-diethoxyundecane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

376
Patents

244.24023 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.247506 167.1
[M+Na]+ 267.229448 170.3
[M-H]- 243.232954 165.7
[M+NH4]+ 262.274053 184.8
[M+K]+ 283.203388 169.1
[M+H-H2O]+ 227.237490 160.8
[M+HCOO]- 289.238431 187.4
[M+CH3COO]- 303.254081 199.1
[M+Na-2H]- 265.214896 168.0
[M]+ 244.23968142 174.1
[M]- 244.24077858 174.1
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