CID 3020468

1-(2,2-dimethoxyethoxy)butane

Structural Information

Molecular Formula
C8H18O3
SMILES
CCCCOCC(OC)OC
InChI
InChI=1S/C8H18O3/c1-4-5-6-11-7-8(9-2)10-3/h8H,4-7H2,1-3H3
InChIKey
NKPXTNPNZFWDCL-UHFFFAOYSA-N
Compound name
1-(2,2-dimethoxyethoxy)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

162.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.13288 137.4
[M+Na]+ 185.11482 143.6
[M-H]- 161.11832 137.4
[M+NH4]+ 180.15942 158.4
[M+K]+ 201.08876 144.7
[M+H-H2O]+ 145.12286 132.3
[M+HCOO]- 207.12380 160.3
[M+CH3COO]- 221.13945 180.0
[M+Na-2H]- 183.10027 142.2
[M]+ 162.12505 143.2
[M]- 162.12615 143.2
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