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

3
Patents

202.10275 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.110026 147.5
[M+Na]+ 225.091968 153.0
[M-H]- 201.095474 147.4
[M+NH4]+ 220.136573 167.1
[M+K]+ 241.065908 151.3
[M+H-H2O]+ 185.100010 142.0
[M+HCOO]- 247.100951 163.3
[M+CH3COO]- 261.116601 186.2
[M+Na-2H]- 223.077416 146.7
[M]+ 202.10220142 152.5
[M]- 202.10329858 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe