CID 95647

1-ethoxy-1,3-dimethoxydodecane

Structural Information

Molecular Formula
C16H34O3
SMILES
CCCCCCCCCC(CC(OC)OCC)OC
InChI
InChI=1S/C16H34O3/c1-5-7-8-9-10-11-12-13-15(17-3)14-16(18-4)19-6-2/h15-16H,5-14H2,1-4H3
InChIKey
JWANSQVVYWAKTI-UHFFFAOYSA-N
Compound name
1-ethoxy-1,3-dimethoxydodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2508 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.258076 175.1
[M+Na]+ 297.240018 177.7
[M-H]- 273.243524 173.6
[M+NH4]+ 292.284623 191.5
[M+K]+ 313.213958 177.2
[M+H-H2O]+ 257.248060 168.5
[M+HCOO]- 319.249001 194.3
[M+CH3COO]- 333.264651 204.7
[M+Na-2H]- 295.225466 174.3
[M]+ 274.25025142 183.3
[M]- 274.25134858 183.3
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

No patent data available for this compound.