CID 201488

Brn 2120334

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CC1=C(C=CC(=C1)SC#N)OC(=O)NC
InChI
InChI=1S/C10H10N2O2S/c1-7-5-8(15-6-11)3-4-9(7)14-10(13)12-2/h3-5H,1-2H3,(H,12,13)
InChIKey
CJCCQQQEEXAGIP-UHFFFAOYSA-N
Compound name
(2-methyl-4-thiocyanatophenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0463 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.053576 152.1
[M+Na]+ 245.035518 162.1
[M-H]- 221.039024 156.3
[M+NH4]+ 240.080123 169.2
[M+K]+ 261.009458 159.5
[M+H-H2O]+ 205.043560 139.5
[M+HCOO]- 267.044501 168.1
[M+CH3COO]- 281.060151 200.6
[M+Na-2H]- 243.020966 154.0
[M]+ 222.04575142 150.4
[M]- 222.04684858 150.4
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.