CID 3018935

2-(acryloyloxy)ethyl 6-hydroxyhexanoate

Structural Information

Molecular Formula

C₁₁H₁₈O₅

SMILES

C=CC(=O)OCCOC(=O)CCCCCO

InChI

InChI=1S/C11H18O5/c1-2-10(13)15-8-9-16-11(14)6-4-3-5-7-12/h2,12H,1,3-9H2

InChIKey

FMZKUQXLZGRENB-UHFFFAOYSA-N

Compound name

2-prop-2-enoyloxyethyl 6-hydroxyhexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 231
Patents: 230.11542 Da
Monoisotopic Mass: 0.9
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]+	231.122696	153.0
[M+Na]+	253.104638	158.1
[M-H]-	229.108144	151.1
[M+NH4]+	248.149243	170.2
[M+K]+	269.078578	157.2
[M+H-H2O]+	213.112680	147.4
[M+HCOO]-	275.113621	173.5
[M+CH3COO]-	289.129271	187.2
[M+Na-2H]-	251.090086	154.6
[M]+	230.11487142	158.0
[M]-	230.11596858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe