CID 131448454

2092229-94-0

Structural Information

Molecular Formula
C6H5N3O2S
SMILES
CN1C2=C(C=C(S2)C(=O)O)N=N1
InChI
InChI=1S/C6H5N3O2S/c1-9-5-3(7-8-9)2-4(12-5)6(10)11/h2H,1H3,(H,10,11)
InChIKey
OQTVSCBDDJNOKI-UHFFFAOYSA-N
Compound name
3-methylthieno[2,3-d]triazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.01025 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01753 136.3
[M+Na]+ 205.99947 147.4
[M+NH4]+ 201.04407 143.6
[M+K]+ 221.97341 144.9
[M-H]- 182.00297 135.2
[M+Na-2H]- 203.98492 139.5
[M]+ 183.00970 137.7
[M]- 183.01080 137.7
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.