CID 67496837

2377005-25-7

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC[C@H]1C[C@@H]1C(=O)O

InChI

InChI=1S/C6H10O3/c1-9-3-4-2-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5+/m1/s1

InChIKey

MEXFQILMFUCKDT-UHNVWZDZSA-N

Compound name

cis-(1S,2S)-2-(methoxymethyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 130.06299 Da
Monoisotopic Mass: 0.0
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	125.0
[M+Na]+	153.052208	134.7
[M-H]-	129.055714	128.8
[M+NH4]+	148.096813	141.7
[M+K]+	169.026148	133.1
[M+H-H2O]+	113.060250	119.8
[M+HCOO]-	175.061191	147.5
[M+CH3COO]-	189.076841	173.7
[M+Na-2H]-	151.037656	130.3
[M]+	130.06244142	129.0
[M]-	130.06353858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe