CID 83872223

2-(1-methoxycyclopropyl)acetic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC1(CC1)CC(=O)O

InChI

InChI=1S/C6H10O3/c1-9-6(2-3-6)4-5(7)8/h2-4H2,1H3,(H,7,8)

InChIKey

NCPHNERIMKBGLV-UHFFFAOYSA-N

Compound name

2-(1-methoxycyclopropyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
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]+	131.07027	126.5
[M+Na]+	153.05221	136.0
[M-H]-	129.05571	130.3
[M+NH4]+	148.09681	144.9
[M+K]+	169.02615	135.4
[M+H-H2O]+	113.06025	122.5
[M+HCOO]-	175.06119	148.7
[M+CH3COO]-	189.07684	172.2
[M+Na-2H]-	151.03766	133.5
[M]+	130.06244	130.6
[M]-	130.06354	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe