CID 84559

1,1-dimethoxydodecane

Structural Information

Molecular Formula
C14H30O2
SMILES
CCCCCCCCCCCC(OC)OC
InChI
InChI=1S/C14H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h14H,4-13H2,1-3H3
InChIKey
AJUWUYJULVYGRA-UHFFFAOYSA-N
Compound name
1,1-dimethoxydodecane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

546
Patents

230.22458 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.231856 162.5
[M+Na]+ 253.213798 166.1
[M-H]- 229.217304 161.3
[M+NH4]+ 248.258403 180.7
[M+K]+ 269.187738 165.2
[M+H-H2O]+ 213.221840 156.4
[M+HCOO]- 275.222781 183.1
[M+CH3COO]- 289.238431 196.1
[M+Na-2H]- 251.199246 163.9
[M]+ 230.22403142 169.1
[M]- 230.22512858 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe