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]+ 225.069226 146.8
[M+Na]+ 247.051168 153.4
[M-H]- 223.054674 152.4
[M+NH4]+ 242.095773 168.5
[M+K]+ 263.025108 151.4
[M+H-H2O]+ 207.059210 140.8
[M+HCOO]- 269.060151 166.9
[M+CH3COO]- 283.075801 190.9
[M+Na-2H]- 245.036616 150.2
[M]+ 224.06140142 147.7
[M]- 224.06249858 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.