CID 201260

Brn 1975915

Structural Information

Molecular Formula
C12H15NO3S
SMILES
CC1=C(C=CC(=C1)OC(=O)N(C)C(=O)C)SC
InChI
InChI=1S/C12H15NO3S/c1-8-7-10(5-6-11(8)17-4)16-12(15)13(3)9(2)14/h5-7H,1-4H3
InChIKey
ZAPSGMRCANDGSH-UHFFFAOYSA-N
Compound name
(3-methyl-4-methylsulfanylphenyl) N-acetyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.07727 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08455 157.0
[M+Na]+ 276.06649 167.4
[M+NH4]+ 271.11109 164.3
[M+K]+ 292.04043 160.9
[M-H]- 252.06999 158.7
[M+Na-2H]- 274.05194 161.5
[M]+ 253.07672 159.3
[M]- 253.07782 159.3
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.