CID 9815474

Ethyl butyryl lactate

Structural Information

Molecular Formula
C9H16O4
SMILES
CCCC(=O)OC(C)C(=O)OCC
InChI
InChI=1S/C9H16O4/c1-4-6-8(10)13-7(3)9(11)12-5-2/h7H,4-6H2,1-3H3
InChIKey
RBNOGZRVVHLYKT-UHFFFAOYSA-N
Compound name
(1-ethoxy-1-oxopropan-2-yl) butanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

86
Patents

188.10486 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 142.4
[M+Na]+ 211.09408 150.5
[M+NH4]+ 206.13868 148.0
[M+K]+ 227.06802 147.3
[M-H]- 187.09758 139.6
[M+Na-2H]- 209.07953 143.5
[M]+ 188.10431 142.3
[M]- 188.10541 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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