CID 22404474

2-(1-(hydroxymethyl)cyclopropyl)acetic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C1CC1(CC(=O)O)CO

InChI

InChI=1S/C6H10O3/c7-4-6(1-2-6)3-5(8)9/h7H,1-4H2,(H,8,9)

InChIKey

OVMNWDIMDCLADX-UHFFFAOYSA-N

Compound name

2-[1-(hydroxymethyl)cyclopropyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 130.06299 Da
Monoisotopic Mass: -0.4
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]+	131.07027	125.9
[M+Na]+	153.05221	135.0
[M-H]-	129.05571	128.3
[M+NH4]+	148.09681	143.6
[M+K]+	169.02615	133.4
[M+H-H2O]+	113.06025	122.1
[M+HCOO]-	175.06119	146.6
[M+CH3COO]-	189.07684	169.7
[M+Na-2H]-	151.03766	132.5
[M]+	130.06244	128.2
[M]-	130.06354	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe