CID 10219443

Sodium 3-cyclopropyl-3-hydroxypropanoate

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C1CC1C(CC(=O)O)O

InChI

InChI=1S/C6H10O3/c7-5(3-6(8)9)4-1-2-4/h4-5,7H,1-3H2,(H,8,9)

InChIKey

VAXCCCJBMJTPIV-UHFFFAOYSA-N

Compound name

3-cyclopropyl-3-hydroxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 130.06299 Da
Monoisotopic Mass: -0.1
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]+	131.070266	124.4
[M+Na]+	153.052208	132.7
[M-H]-	129.055714	126.6
[M+NH4]+	148.096813	140.2
[M+K]+	169.026148	130.6
[M+H-H2O]+	113.060250	119.4
[M+HCOO]-	175.061191	144.7
[M+CH3COO]-	189.076841	171.0
[M+Na-2H]-	151.037656	128.9
[M]+	130.06244142	125.7
[M]-	130.06353858	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe