CID 55516

Carbamic acid, methyl((1-methylethoxy)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester

Structural Information

Molecular Formula
C15H21NO4S
SMILES
CC(C)OSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C15H21NO4S/c1-10(2)20-21-16(5)14(17)18-12-8-6-7-11-9-15(3,4)19-13(11)12/h6-8,10H,9H2,1-5H3
InChIKey
VBDYFSRQIYYPBA-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-propan-2-yloxysulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

311.11914 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.126416 171.6
[M+Na]+ 334.108358 178.3
[M-H]- 310.111864 178.0
[M+NH4]+ 329.152963 191.0
[M+K]+ 350.082298 179.1
[M+H-H2O]+ 294.116400 166.5
[M+HCOO]- 356.117341 187.8
[M+CH3COO]- 370.132991 208.7
[M+Na-2H]- 332.093806 172.8
[M]+ 311.11859142 180.1
[M]- 311.11968858 180.1
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