CID 89447522

1423705-50-3

Structural Information

Molecular Formula

C₇H₈O₂

SMILES

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

InChI

InChI=1S/C7H8O2/c1-3-7(4-5-7)6(8)9-2/h1H,4-5H2,2H3

InChIKey

GNQDMDGANKZKFF-UHFFFAOYSA-N

Compound name

methyl 1-ethynylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 124.05243 Da
Monoisotopic Mass: 0.7
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]+	125.059706	122.7
[M+Na]+	147.041648	139.0
[M-H]-	123.045154	128.7
[M+NH4]+	142.086253	141.9
[M+K]+	163.015588	134.1
[M+H-H2O]+	107.049690	115.4
[M+HCOO]-	169.050631	142.4
[M+CH3COO]-	183.066281	182.5
[M+Na-2H]-	145.027096	130.9
[M]+	124.05188142	123.3
[M]-	124.05297858	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe