CID 31828

Butylthioethyl methacrylate

Structural Information

Molecular Formula

C₁₀H₁₈O₂S

SMILES

CCCCSCCOC(=O)C(=C)C

InChI

InChI=1S/C10H18O2S/c1-4-5-7-13-8-6-12-10(11)9(2)3/h2,4-8H2,1,3H3

InChIKey

COKZCMFCVMEDJM-UHFFFAOYSA-N

Compound name

2-butylsulfanylethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 202.10275 Da
Monoisotopic Mass: 3.1
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]+	203.11003	148.8
[M+Na]+	225.09197	157.3
[M+NH4]+	220.13657	155.9
[M+K]+	241.06591	149.9
[M-H]-	201.09547	147.5
[M+Na-2H]-	223.07742	150.1
[M]+	202.10220	149.8
[M]-	202.10330	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe