CID 111999

4-methyl-2-(3-methylbutoxy)pentan-1-ol

Structural Information

Molecular Formula
C11H24O2
SMILES
CC(C)CCOC(CC(C)C)CO
InChI
InChI=1S/C11H24O2/c1-9(2)5-6-13-11(8-12)7-10(3)4/h9-12H,5-8H2,1-4H3
InChIKey
GDFYQZHRZFIDNT-UHFFFAOYSA-N
Compound name
4-methyl-2-(3-methylbutoxy)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

188.17763 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.18491 147.5
[M+Na]+ 211.16685 155.5
[M+NH4]+ 206.21145 154.2
[M+K]+ 227.14079 151.2
[M-H]- 187.17035 145.7
[M+Na-2H]- 209.15230 148.7
[M]+ 188.17708 147.8
[M]- 188.17818 147.8
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

patents stripe