CID 10654204

2361639-90-7

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

C1[C@H]([C@H]1C(=O)O)CO

InChI

InChI=1S/C5H8O3/c6-2-3-1-4(3)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4-/m0/s1

InChIKey

QAKGVPAQOZSDOZ-IMJSIDKUSA-N

Compound name

(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 116.04734 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]+	117.05462	120.0
[M+Na]+	139.03656	129.7
[M-H]-	115.04006	122.6
[M+NH4]+	134.08116	136.6
[M+K]+	155.01050	127.4
[M+H-H2O]+	99.044600	115.3
[M+HCOO]-	161.04554	141.4
[M+CH3COO]-	175.06119	168.4
[M+Na-2H]-	137.02201	125.4
[M]+	116.04679	121.9
[M]-	116.04789	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe