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
3
Annotation Hits

0
References

332
Patents

244.24023 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.24751 167.1
[M+Na]+ 267.22945 170.3
[M-H]- 243.23295 165.7
[M+NH4]+ 262.27405 184.8
[M+K]+ 283.20339 169.1
[M+H-H2O]+ 227.23749 160.8
[M+HCOO]- 289.23843 187.4
[M+CH3COO]- 303.25408 199.1
[M+Na-2H]- 265.21490 168.0
[M]+ 244.23968 174.1
[M]- 244.24078 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