CID 39705

50539-81-6

Structural Information

Molecular Formula
C14H19NO3S
SMILES
CCSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C14H19NO3S/c1-5-19-15(4)13(16)17-11-8-6-7-10-9-14(2,3)18-12(10)11/h6-8H,5,9H2,1-4H3
InChIKey
RJPCOPJDCSLQER-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-ethylsulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.10855 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11583 163.7
[M+Na]+ 304.09777 171.5
[M-H]- 280.10127 170.4
[M+NH4]+ 299.14237 184.5
[M+K]+ 320.07171 171.3
[M+H-H2O]+ 264.10581 158.7
[M+HCOO]- 326.10675 181.1
[M+CH3COO]- 340.12240 202.7
[M+Na-2H]- 302.08322 166.1
[M]+ 281.10800 171.0
[M]- 281.10910 171.0
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.