CID 3039471

Carbamic acid, (butylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester

Structural Information

Molecular Formula
C16H23NO3S
SMILES
CCCCSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C16H23NO3S/c1-5-6-10-21-17(4)15(18)19-13-9-7-8-12-11-16(2,3)20-14(12)13/h7-9H,5-6,10-11H2,1-4H3
InChIKey
BIJMXDNSESMDDR-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-butylsulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.13986 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14714 172.9
[M+Na]+ 332.12908 182.1
[M+NH4]+ 327.17368 182.1
[M+K]+ 348.10302 174.6
[M-H]- 308.13258 176.0
[M+Na-2H]- 330.11453 176.8
[M]+ 309.13931 175.6
[M]- 309.14041 175.6
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

No patent data available for this compound.