CID 61278

Allyl formate

Structural Information

Molecular Formula

C₄H₆O₂

SMILES

C=CCOC=O

InChI

InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2

InChIKey

ZHHZHHSFKCANOC-UHFFFAOYSA-N

Compound name

prop-2-enyl formate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 54
References: 19876
Patents: 86.03678 Da
Monoisotopic Mass: 0.8
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	113.8
[M+Na]+	109.02600	125.0
[M+NH4]+	104.07060	121.9
[M+K]+	124.99994	119.4
[M-H]-	85.029504	113.1
[M+Na-2H]-	107.01145	118.4
[M]+	86.036231	115.0
[M]-	86.037329	115.0

Literature stripe

literature stripe

Patent stripe

patents stripe