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 155.5
[M+Na]+ 259.05117 165.8
[M-H]- 235.05467 159.8
[M+NH4]+ 254.09577 172.3
[M+K]+ 275.02511 163.1
[M+H-H2O]+ 219.05921 143.0
[M+HCOO]- 281.06015 171.1
[M+CH3COO]- 295.07580 204.4
[M+Na-2H]- 257.03662 156.4
[M]+ 236.06140 154.4
[M]- 236.06250 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.