CID 6366079

(e)-hex-2-enyl lactate

Structural Information

Molecular Formula

C₉H₁₆O₃

SMILES

CCC/C=C/COC(=O)C(C)O

InChI

InChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h5-6,8,10H,3-4,7H2,1-2H3/b6-5+

InChIKey

CLRYHPFNHRAPPN-AATRIKPKSA-N

Compound name

[(E)-hex-2-enyl] 2-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 172.10994 Da
Monoisotopic Mass: 1.7
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]+	173.11722	140.3
[M+Na]+	195.09916	146.2
[M-H]-	171.10266	138.9
[M+NH4]+	190.14376	160.1
[M+K]+	211.07310	145.4
[M+H-H2O]+	155.10720	135.6
[M+HCOO]-	217.10814	160.8
[M+CH3COO]-	231.12379	178.0
[M+Na-2H]-	193.08461	142.8
[M]+	172.10939	142.4
[M]-	172.11049	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe