CID 3020442

1-(1,1-diethoxyethoxy)butane

Structural Information

Molecular Formula
C10H22O3
SMILES
CCCCOC(C)(OCC)OCC
InChI
InChI=1S/C10H22O3/c1-5-8-9-13-10(4,11-6-2)12-7-3/h5-9H2,1-4H3
InChIKey
URMLVTZNCGXLNB-UHFFFAOYSA-N
Compound name
1-(1,1-diethoxyethoxy)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

190.15689 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.16417 146.3
[M+Na]+ 213.14611 152.3
[M-H]- 189.14961 146.2
[M+NH4]+ 208.19071 166.4
[M+K]+ 229.12005 152.9
[M+H-H2O]+ 173.15415 141.5
[M+HCOO]- 235.15509 168.0
[M+CH3COO]- 249.17074 185.6
[M+Na-2H]- 211.13156 152.0
[M]+ 190.15634 153.1
[M]- 190.15744 153.1
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