CID 15466446

2-cyclopropylideneacetic acid

Structural Information

Molecular Formula

C₅H₆O₂

SMILES

C1CC1=CC(=O)O

InChI

InChI=1S/C5H6O2/c6-5(7)3-4-1-2-4/h3H,1-2H2,(H,6,7)

InChIKey

BUTJLJIPWQEYOC-UHFFFAOYSA-N

Compound name

2-cyclopropylideneacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 98.03678 Da
Monoisotopic Mass: 0.2
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]+	99.044056	119.4
[M+Na]+	121.02600	131.1
[M+NH4]+	116.07060	127.9
[M+K]+	136.99994	127.9
[M-H]-	97.029504	126.2
[M+Na-2H]-	119.01145	126.5
[M]+	98.036231	123.8
[M]-	98.037329	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe