CID 53428150

13442-92-7

Structural Information

Molecular Formula
C12H26O2
SMILES
CCCCCOC(C)OCCC(C)C
InChI
InChI=1S/C12H26O2/c1-5-6-7-9-13-12(4)14-10-8-11(2)3/h11-12H,5-10H2,1-4H3
InChIKey
ZDXAJQYVODZHIO-UHFFFAOYSA-N
Compound name
1-[1-(3-methylbutoxy)ethoxy]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.19328 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.20056 151.1
[M+Na]+ 225.18250 159.9
[M+NH4]+ 220.22710 158.2
[M+K]+ 241.15644 154.2
[M-H]- 201.18600 150.1
[M+Na-2H]- 223.16795 153.1
[M]+ 202.19273 151.8
[M]- 202.19383 151.8
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.