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]+ 191.164166 146.3
[M+Na]+ 213.146108 152.3
[M-H]- 189.149614 146.2
[M+NH4]+ 208.190713 166.4
[M+K]+ 229.120048 152.9
[M+H-H2O]+ 173.154150 141.5
[M+HCOO]- 235.155091 168.0
[M+CH3COO]- 249.170741 185.6
[M+Na-2H]- 211.131556 152.0
[M]+ 190.15634142 153.1
[M]- 190.15743858 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