CID 57346847

Dtxsid90721277

Structural Information

Molecular Formula
C7H8N2O3S
SMILES
CC(=NOC)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
InChIKey
RBEVERZOQIGERD-UHFFFAOYSA-N
Compound name
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 140.8
[M+Na]+ 223.01478 148.0
[M-H]- 199.01828 146.3
[M+NH4]+ 218.05938 161.7
[M+K]+ 238.98872 143.1
[M+H-H2O]+ 183.02282 139.2
[M+HCOO]- 245.02376 164.1
[M+CH3COO]- 259.03941 180.2
[M+Na-2H]- 221.00023 144.7
[M]+ 200.02501 142.5
[M]- 200.02611 142.5
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.