CID 2821424

30005-32-4

Structural Information

Molecular Formula
C8H9NO3S
SMILES
CC(=NOCC(=O)O)C1=CC=CS1
InChI
InChI=1S/C8H9NO3S/c1-6(7-3-2-4-13-7)9-12-5-8(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKey
OMCSQJVGJMCOKB-UHFFFAOYSA-N
Compound name
2-(1-thiophen-2-ylethylideneamino)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

199.03032 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 142.7
[M+Na]+ 222.01954 149.7
[M-H]- 198.02304 146.6
[M+NH4]+ 217.06414 163.6
[M+K]+ 237.99348 148.4
[M+H-H2O]+ 182.02758 136.8
[M+HCOO]- 244.02852 162.9
[M+CH3COO]- 258.04417 182.3
[M+Na-2H]- 220.00499 143.9
[M]+ 199.02977 146.0
[M]- 199.03087 146.0
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

patents stripe