CID 6139199

2-amino-n-[(6z)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]acetamide

Structural Information

Molecular Formula
C9H11N3O3S
SMILES
C1=CSC\2=C1C(C(/C2=N/O)O)NC(=O)CN
InChI
InChI=1S/C9H11N3O3S/c10-3-5(13)11-6-4-1-2-16-9(4)7(12-15)8(6)14/h1-2,6,8,14-15H,3,10H2,(H,11,13)/b12-7-
InChIKey
AOXDUDHXBDCGQS-GHXNOFRVSA-N
Compound name
2-amino-N-[(6Z)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05211 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05939 149.0
[M+Na]+ 264.04133 156.4
[M-H]- 240.04483 152.4
[M+NH4]+ 259.08593 170.0
[M+K]+ 280.01527 153.3
[M+H-H2O]+ 224.04937 144.0
[M+HCOO]- 286.05031 168.8
[M+CH3COO]- 300.06596 193.0
[M+Na-2H]- 262.02678 149.7
[M]+ 241.05156 148.6
[M]- 241.05266 148.6
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.