CID 53415969

88157-41-9

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

COC(=O)C1(CC1)C=O

InChI

InChI=1S/C6H8O3/c1-9-5(8)6(4-7)2-3-6/h4H,2-3H2,1H3

InChIKey

RMPZPDNSMGBBAE-UHFFFAOYSA-N

Compound name

methyl 1-formylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 128.04735 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]+	129.05463	126.2
[M+Na]+	151.03657	136.5
[M-H]-	127.04007	131.5
[M+NH4]+	146.08117	145.4
[M+K]+	167.01051	136.2
[M+H-H2O]+	111.04461	122.0
[M+HCOO]-	173.04555	150.0
[M+CH3COO]-	187.06120	173.3
[M+Na-2H]-	149.02202	133.6
[M]+	128.04680	131.3
[M]-	128.04790	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe