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: 1
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	147.5
[M+Na]+	225.09197	153.0
[M-H]-	201.09547	147.4
[M+NH4]+	220.13657	167.1
[M+K]+	241.06591	151.3
[M+H-H2O]+	185.10001	142.0
[M+HCOO]-	247.10095	163.3
[M+CH3COO]-	261.11660	186.2
[M+Na-2H]-	223.07742	146.7
[M]+	202.10220	152.5
[M]-	202.10330	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe