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]+ 237.069226 155.5
[M+Na]+ 259.051168 165.8
[M-H]- 235.054674 159.8
[M+NH4]+ 254.095773 172.3
[M+K]+ 275.025108 163.1
[M+H-H2O]+ 219.059210 143.0
[M+HCOO]- 281.060151 171.1
[M+CH3COO]- 295.075801 204.4
[M+Na-2H]- 257.036616 156.4
[M]+ 236.06140142 154.4
[M]- 236.06249858 154.4
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.