CID 154073

2-ethylhexyl (2s)-2-hydroxypropanoate

Structural Information

Molecular Formula

C₁₁H₂₂O₃

SMILES

CCCCC(CC)COC(=O)[C@H](C)O

InChI

InChI=1S/C11H22O3/c1-4-6-7-10(5-2)8-14-11(13)9(3)12/h9-10,12H,4-8H2,1-3H3/t9-,10?/m0/s1

InChIKey

FECDACOUYKFOOP-RGURZIINSA-N

Compound name

2-ethylhexyl (2S)-2-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1503
Patents: 202.15689 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.16417	149.6
[M+Na]+	225.14611	157.3
[M+NH4]+	220.19071	155.5
[M+K]+	241.12005	153.4
[M-H]-	201.14961	147.1
[M+Na-2H]-	223.13156	150.2
[M]+	202.15634	149.6
[M]-	202.15744	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe