CID 12603471

Ethyl 3-hydroxy-2,3-dimethylbutanoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

160.10994 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 135.9
[M+Na]+ 183.09916 142.2
[M-H]- 159.10266 134.9
[M+NH4]+ 178.14376 156.3
[M+K]+ 199.07310 142.8
[M+H-H2O]+ 143.10720 132.0
[M+HCOO]- 205.10814 155.0
[M+CH3COO]- 219.12379 176.9
[M+Na-2H]- 181.08461 139.7
[M]+ 160.10939 137.9
[M]- 160.11049 137.9
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