CID 575357

Ethyl 2-(hydroxymethyl)-3-methylbutanoate

Structural Information

Molecular Formula
C8H16O3
SMILES
CCOC(=O)C(CO)C(C)C
InChI
InChI=1S/C8H16O3/c1-4-11-8(10)7(5-9)6(2)3/h6-7,9H,4-5H2,1-3H3
InChIKey
SLRBAQZDMRTACB-UHFFFAOYSA-N
Compound name
ethyl 2-(hydroxymethyl)-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.10994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 136.5
[M+Na]+ 183.09916 144.7
[M+NH4]+ 178.14376 142.8
[M+K]+ 199.07310 141.5
[M-H]- 159.10266 134.1
[M+Na-2H]- 181.08461 137.9
[M]+ 160.10939 136.6
[M]- 160.11049 136.6
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.