CID 15305522

Ethyl 3-cyclopropyl-3-hydroxypropanoate

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CCOC(=O)CC(C1CC1)O

InChI

InChI=1S/C8H14O3/c1-2-11-8(10)5-7(9)6-3-4-6/h6-7,9H,2-5H2,1H3

InChIKey

OCPBHCDHXMXFQW-UHFFFAOYSA-N

Compound name

ethyl 3-cyclopropyl-3-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 158.0943 Da
Monoisotopic Mass: 0.5
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	134.9
[M+Na]+	181.08352	145.2
[M+NH4]+	176.12812	142.5
[M+K]+	197.05746	142.7
[M-H]-	157.08702	141.1
[M+Na-2H]-	179.06897	140.6
[M]+	158.09375	138.9
[M]-	158.09485	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe