CID 11805723

2-acetyl-5-nitrothiophene o-methyl oxime

Structural Information

Molecular Formula
C7H8N2O3S
SMILES
C/C(=N\OC)/C1=CC=C(S1)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O3S/c1-5(8-12-2)6-3-4-7(13-6)9(10)11/h3-4H,1-2H3/b8-5+
InChIKey
RBEVERZOQIGERD-VMPITWQZSA-N
Compound name
(E)-N-methoxy-1-(5-nitrothiophen-2-yl)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.02556 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03284 139.6
[M+Na]+ 223.01478 149.5
[M+NH4]+ 218.05938 147.6
[M+K]+ 238.98872 147.2
[M-H]- 199.01828 142.4
[M+Na-2H]- 221.00023 144.0
[M]+ 200.02501 141.9
[M]- 200.02611 141.9
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.