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

2
Annotation Hits: 0
References: 68
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]+	131.070266	125.9
[M+Na]+	153.052208	135.0
[M-H]-	129.055714	128.3
[M+NH4]+	148.096813	143.6
[M+K]+	169.026148	133.4
[M+H-H2O]+	113.060250	122.1
[M+HCOO]-	175.061191	146.6
[M+CH3COO]-	189.076841	169.7
[M+Na-2H]-	151.037656	132.5
[M]+	130.06244142	128.2
[M]-	130.06353858	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe