CID 106788

1,1-diethoxy-2-methylundecane

Structural Information

Molecular Formula
C16H34O2
SMILES
CCCCCCCCCC(C)C(OCC)OCC
InChI
InChI=1S/C16H34O2/c1-5-8-9-10-11-12-13-14-15(4)16(17-6-2)18-7-3/h15-16H,5-14H2,1-4H3
InChIKey
CNWQANBQCPRGEE-UHFFFAOYSA-N
Compound name
1,1-diethoxy-2-methylundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.2559 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.26318 172.2
[M+Na]+ 281.24512 174.9
[M-H]- 257.24862 170.8
[M+NH4]+ 276.28972 189.3
[M+K]+ 297.21906 173.9
[M+H-H2O]+ 241.25316 165.9
[M+HCOO]- 303.25410 191.2
[M+CH3COO]- 317.26975 202.9
[M+Na-2H]- 279.23057 171.4
[M]+ 258.25535 179.0
[M]- 258.25645 179.0
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