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]+ 312.12642 171.6
[M+Na]+ 334.10836 178.3
[M-H]- 310.11186 178.0
[M+NH4]+ 329.15296 191.0
[M+K]+ 350.08230 179.1
[M+H-H2O]+ 294.11640 166.5
[M+HCOO]- 356.11734 187.8
[M+CH3COO]- 370.13299 208.7
[M+Na-2H]- 332.09381 172.8
[M]+ 311.11859 180.1
[M]- 311.11969 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