CID 519611

18941-94-1

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CCOC(=O)C1CC1=C

InChI

InChI=1S/C7H10O2/c1-3-9-7(8)6-4-5(6)2/h6H,2-4H2,1H3

InChIKey

SPCOBAXZQGNBHE-UHFFFAOYSA-N

Compound name

ethyl 2-methylidenecyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 126.06808 Da
Monoisotopic Mass: 0.9
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]+	127.07536	125.4
[M+Na]+	149.05730	135.5
[M-H]-	125.06080	130.6
[M+NH4]+	144.10190	143.1
[M+K]+	165.03124	133.7
[M+H-H2O]+	109.06534	120.1
[M+HCOO]-	171.06628	149.1
[M+CH3COO]-	185.08193	175.7
[M+Na-2H]-	147.04275	130.7
[M]+	126.06753	129.4
[M]-	126.06863	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe