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]+ 256.10019 157.6
[M+Na]+ 278.08213 163.5
[M-H]- 254.08563 162.6
[M+NH4]+ 273.12673 175.5
[M+K]+ 294.05607 163.1
[M+H-H2O]+ 238.09017 150.6
[M+HCOO]- 300.09111 176.1
[M+CH3COO]- 314.10676 199.1
[M+Na-2H]- 276.06758 157.9
[M]+ 255.09236 163.9
[M]- 255.09346 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.