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
5
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]+ 189.184906 148.6
[M+Na]+ 211.166848 153.5
[M-H]- 187.170354 148.0
[M+NH4]+ 206.211453 168.6
[M+K]+ 227.140788 153.4
[M+H-H2O]+ 171.174890 143.1
[M+HCOO]- 233.175831 170.2
[M+CH3COO]- 247.191481 187.1
[M+Na-2H]- 209.152296 151.7
[M]+ 188.17708142 154.1
[M]- 188.17817858 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