CID 165499677

Butyl 4-hydroxy-4-methylpentanoate

Structural Information

Molecular Formula
C10H20O3
SMILES
CCCCOC(=O)CCC(C)(C)O
InChI
InChI=1S/C10H20O3/c1-4-5-8-13-9(11)6-7-10(2,3)12/h12H,4-8H2,1-3H3
InChIKey
UVRSIXOGOGKWMK-UHFFFAOYSA-N
Compound name
butyl 4-hydroxy-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.14125 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.14853 144.7
[M+Na]+ 211.13047 152.9
[M+NH4]+ 206.17507 150.8
[M+K]+ 227.10441 148.9
[M-H]- 187.13397 142.0
[M+Na-2H]- 209.11592 146.2
[M]+ 188.14070 144.8
[M]- 188.14180 144.8
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.