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 149.9
[M+Na]+ 211.16685 154.0
[M-H]- 187.17035 148.1
[M+NH4]+ 206.21145 169.0
[M+K]+ 227.14079 153.9
[M+H-H2O]+ 171.17489 144.8
[M+HCOO]- 233.17583 168.0
[M+CH3COO]- 247.19148 186.1
[M+Na-2H]- 209.15230 149.9
[M]+ 188.17708 152.1
[M]- 188.17818 152.1
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