CID 5864868

Benzo(b)thiophen-4(5h)-one, 6,7-dihydro-, o-methylcarbamoyloxime

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
CNC(=O)O/N=C\1/CCCC2=C1C=CS2
InChI
InChI=1S/C10H12N2O2S/c1-11-10(13)14-12-8-3-2-4-9-7(8)5-6-15-9/h5-6H,2-4H2,1H3,(H,11,13)/b12-8-
InChIKey
BHNRJPMTOUSDTC-WQLSENKSSA-N
Compound name
[(Z)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06195 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06923 146.8
[M+Na]+ 247.05117 153.4
[M-H]- 223.05467 152.4
[M+NH4]+ 242.09577 168.5
[M+K]+ 263.02511 151.4
[M+H-H2O]+ 207.05921 140.8
[M+HCOO]- 269.06015 166.9
[M+CH3COO]- 283.07580 190.9
[M+Na-2H]- 245.03662 150.2
[M]+ 224.06140 147.7
[M]- 224.06250 147.7
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.