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 157.3
[M+Na]+ 278.08213 167.1
[M+NH4]+ 273.12673 164.7
[M+K]+ 294.05607 160.6
[M-H]- 254.08563 159.1
[M+Na-2H]- 276.06758 162.0
[M]+ 255.09236 159.5
[M]- 255.09346 159.5
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.