CID 3015483

29721-79-7

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CCCC(O)OC(=O)C(=C)C

InChI

InChI=1S/C8H14O3/c1-4-5-7(9)11-8(10)6(2)3/h7,9H,2,4-5H2,1,3H3

InChIKey

QNMHRRCVEGQTPS-UHFFFAOYSA-N

Compound name

1-hydroxybutyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10629
Patents: 158.0943 Da
Monoisotopic Mass: 2.2
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]+	159.10158	135.8
[M+Na]+	181.08352	144.1
[M+NH4]+	176.12812	141.9
[M+K]+	197.05746	140.8
[M-H]-	157.08702	133.1
[M+Na-2H]-	179.06897	137.0
[M]+	158.09375	135.7
[M]-	158.09485	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe