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

3
Patents

258.2559 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.263176 172.2
[M+Na]+ 281.245118 174.9
[M-H]- 257.248624 170.8
[M+NH4]+ 276.289723 189.3
[M+K]+ 297.219058 173.9
[M+H-H2O]+ 241.253160 165.9
[M+HCOO]- 303.254101 191.2
[M+CH3COO]- 317.269751 202.9
[M+Na-2H]- 279.230566 171.4
[M]+ 258.25535142 179.0
[M]- 258.25644858 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