CID 17379

Dibutoxymethane

Structural Information

Molecular Formula
C9H20O2
SMILES
CCCCOCOCCCC
InChI
InChI=1S/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3
InChIKey
QLCJOAMJPCOIDI-UHFFFAOYSA-N
Compound name
1-(butoxymethoxy)butane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3016
Patents

160.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.15361 138.6
[M+Na]+ 183.13555 144.6
[M-H]- 159.13905 138.3
[M+NH4]+ 178.18015 159.8
[M+K]+ 199.10949 144.6
[M+H-H2O]+ 143.14359 133.5
[M+HCOO]- 205.14453 161.9
[M+CH3COO]- 219.16018 180.3
[M+Na-2H]- 181.12100 144.2
[M]+ 160.14578 144.0
[M]- 160.14688 144.0
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