CID 200741

Brn 2979254

Structural Information

Molecular Formula
C11H12N2O2S
SMILES
CC1=C(C=CC(=C1C)SC#N)OC(=O)NC
InChI
InChI=1S/C11H12N2O2S/c1-7-8(2)10(16-6-12)5-4-9(7)15-11(14)13-3/h4-5H,1-3H3,(H,13,14)
InChIKey
SFJIVVKRQQQTSS-UHFFFAOYSA-N
Compound name
(2,3-dimethyl-4-thiocyanatophenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.06195 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06923 147.7
[M+Na]+ 259.05117 158.4
[M+NH4]+ 254.09577 152.0
[M+K]+ 275.02511 148.4
[M-H]- 235.05467 142.6
[M+Na-2H]- 257.03662 150.4
[M]+ 236.06140 147.3
[M]- 236.06250 147.3
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.