CID 15655

Cyclopropanecarboxylic acid

Structural Information

Molecular Formula

C₄H₆O₂

SMILES

C1CC1C(=O)O

InChI

InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)

InChIKey

YMGUBTXCNDTFJI-UHFFFAOYSA-N

Compound name

cyclopropanecarboxylic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 69
References: 33717
Patents: 86.03678 Da
Monoisotopic Mass: 0.6
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]+	87.044056	113.6
[M+Na]+	109.02600	123.3
[M-H]-	85.029504	117.5
[M+NH4]+	104.07060	131.8
[M+K]+	124.99994	122.0
[M+H-H2O]+	69.034040	108.7
[M+HCOO]-	131.03498	136.6
[M+CH3COO]-	145.05063	164.9
[M+Na-2H]-	107.01145	120.7
[M]+	86.036231	115.1
[M]-	86.037329	115.1

Literature stripe

literature stripe

Patent stripe

patents stripe