CID 53422437

1-(1-ethoxybutoxy)pentane

Structural Information

Molecular Formula
C11H24O2
SMILES
CCCCCOC(CCC)OCC
InChI
InChI=1S/C11H24O2/c1-4-7-8-10-13-11(9-5-2)12-6-3/h11H,4-10H2,1-3H3
InChIKey
OKBUMDOJWAYJPW-UHFFFAOYSA-N
Compound name
1-(1-ethoxybutoxy)pentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

188.17763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.18491 148.6
[M+Na]+ 211.16685 153.5
[M-H]- 187.17035 148.0
[M+NH4]+ 206.21145 168.6
[M+K]+ 227.14079 153.4
[M+H-H2O]+ 171.17489 143.1
[M+HCOO]- 233.17583 170.2
[M+CH3COO]- 247.19148 187.1
[M+Na-2H]- 209.15230 151.7
[M]+ 188.17708 154.1
[M]- 188.17818 154.1
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