CID 3017890

3-(dimethoxymethyl)-1,1-dimethoxypentane

Structural Information

Molecular Formula
C10H22O4
SMILES
CCC(CC(OC)OC)C(OC)OC
InChI
InChI=1S/C10H22O4/c1-6-8(10(13-4)14-5)7-9(11-2)12-3/h8-10H,6-7H2,1-5H3
InChIKey
SVZYBMYDBLEYPG-UHFFFAOYSA-N
Compound name
3-(dimethoxymethyl)-1,1-dimethoxypentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.15181 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.159086 150.0
[M+Na]+ 229.141028 154.8
[M-H]- 205.144534 149.7
[M+NH4]+ 224.185633 169.0
[M+K]+ 245.114968 156.9
[M+H-H2O]+ 189.149070 144.5
[M+HCOO]- 251.150011 170.5
[M+CH3COO]- 265.165661 189.7
[M+Na-2H]- 227.126476 151.2
[M]+ 206.15126142 156.8
[M]- 206.15235858 156.8
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.