CID 39715

Brn 1983671

Structural Information

Molecular Formula
C12H17NO3S
SMILES
CC(C)OC1=CC=CC=C1OC(=O)N(C)SC
InChI
InChI=1S/C12H17NO3S/c1-9(2)15-10-7-5-6-8-11(10)16-12(14)13(3)17-4/h5-9H,1-4H3
InChIKey
PMVQDRMRDPCCHD-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-methyl-N-methylsulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.09291 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.100186 157.6
[M+Na]+ 278.082128 163.5
[M-H]- 254.085634 162.6
[M+NH4]+ 273.126733 175.5
[M+K]+ 294.056068 163.1
[M+H-H2O]+ 238.090170 150.6
[M+HCOO]- 300.091111 176.1
[M+CH3COO]- 314.106761 199.1
[M+Na-2H]- 276.067576 157.9
[M]+ 255.09236142 163.9
[M]- 255.09345858 163.9
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.