CID 57346847

114774-06-0

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]+ 201.032836 140.8
[M+Na]+ 223.014778 148.0
[M-H]- 199.018284 146.3
[M+NH4]+ 218.059383 161.7
[M+K]+ 238.988718 143.1
[M+H-H2O]+ 183.022820 139.2
[M+HCOO]- 245.023761 164.1
[M+CH3COO]- 259.039411 180.2
[M+Na-2H]- 221.000226 144.7
[M]+ 200.02501142 142.5
[M]- 200.02610858 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.