CID 102941

3139-91-1

Structural Information

Molecular Formula

C₇H₁₀O₂S

SMILES

CC(=C)C(=O)OCC1CS1

InChI

InChI=1S/C7H10O2S/c1-5(2)7(8)9-3-6-4-10-6/h6H,1,3-4H2,2H3

InChIKey

OXUABORVCCLQJI-UHFFFAOYSA-N

Compound name

thiiran-2-ylmethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 243
Patents: 158.04015 Da
Monoisotopic Mass: 1.6
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]+	159.04743	130.0
[M+Na]+	181.02937	138.5
[M-H]-	157.03287	134.7
[M+NH4]+	176.07397	146.4
[M+K]+	197.00331	136.4
[M+H-H2O]+	141.03741	124.0
[M+HCOO]-	203.03835	147.4
[M+CH3COO]-	217.05400	179.2
[M+Na-2H]-	179.01482	131.7
[M]+	158.03960	134.9
[M]-	158.04070	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe