CID 101412557

2-methylbutyl 3-hydroxy-2-methylidenebutanoate

Structural Information

Molecular Formula
C10H18O3
SMILES
CCC(C)COC(=O)C(=C)C(C)O
InChI
InChI=1S/C10H18O3/c1-5-7(2)6-13-10(12)8(3)9(4)11/h7,9,11H,3,5-6H2,1-2,4H3
InChIKey
BAAJXLRVWJHRQH-UHFFFAOYSA-N
Compound name
2-methylbutyl 3-hydroxy-2-methylidenebutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 144.5
[M+Na]+ 209.11482 152.1
[M+NH4]+ 204.15942 150.1
[M+K]+ 225.08876 149.1
[M-H]- 185.11832 141.5
[M+Na-2H]- 207.10027 144.9
[M]+ 186.12505 144.3
[M]- 186.12615 144.3
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.