CID 14319625

123056-60-0

Structural Information

Molecular Formula

C₆H₈O₄

SMILES

CC(=O)OC1(CC1)C(=O)O

InChI

InChI=1S/C6H8O4/c1-4(7)10-6(2-3-6)5(8)9/h2-3H2,1H3,(H,8,9)

InChIKey

UFGHKCAYOUCBDY-UHFFFAOYSA-N

Compound name

1-acetyloxycyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 144.04225 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]+	145.049526	128.5
[M+Na]+	167.031468	138.1
[M-H]-	143.034974	132.4
[M+NH4]+	162.076073	146.2
[M+K]+	183.005408	137.6
[M+H-H2O]+	127.039510	124.6
[M+HCOO]-	189.040451	150.1
[M+CH3COO]-	203.056101	173.5
[M+Na-2H]-	165.016916	134.4
[M]+	144.04170142	132.7
[M]-	144.04279858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe