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 155.7
[M+Na]+ 276.06649 162.9
[M-H]- 252.06999 161.1
[M+NH4]+ 271.11109 174.0
[M+K]+ 292.04043 161.9
[M+H-H2O]+ 236.07453 149.0
[M+HCOO]- 298.07547 174.3
[M+CH3COO]- 312.09112 198.8
[M+Na-2H]- 274.05194 155.4
[M]+ 253.07672 161.5
[M]- 253.07782 161.5
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.