CID 53422435

1-(1-ethoxypropoxy)-3-methylbutane

Structural Information

Molecular Formula
C10H22O2
SMILES
CCC(OCC)OCCC(C)C
InChI
InChI=1S/C10H22O2/c1-5-10(11-6-2)12-8-7-9(3)4/h9-10H,5-8H2,1-4H3
InChIKey
WMLCXIOXLJBRRH-UHFFFAOYSA-N
Compound name
1-(1-ethoxypropoxy)-3-methylbutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

174.16199 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.169266 144.3
[M+Na]+ 197.151208 149.4
[M-H]- 173.154714 144.0
[M+NH4]+ 192.195813 164.8
[M+K]+ 213.125148 150.0
[M+H-H2O]+ 157.159250 139.1
[M+HCOO]- 219.160191 165.3
[M+CH3COO]- 233.175841 185.0
[M+Na-2H]- 195.136656 146.7
[M]+ 174.16144142 148.7
[M]- 174.16253858 148.7
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.