CID 68056931

Thiazolo[4,5-c]pyridine-6-carboxylic acid

Structural Information

Molecular Formula
C7H4N2O2S
SMILES
C1=C2C(=CN=C1C(=O)O)N=CS2
InChI
InChI=1S/C7H4N2O2S/c10-7(11)4-1-6-5(2-8-4)9-3-12-6/h1-3H,(H,10,11)
InChIKey
WPBMKFYRQHJLDB-UHFFFAOYSA-N
Compound name
[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

179.99934 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.00662 131.9
[M+Na]+ 202.98856 143.7
[M-H]- 178.99206 133.9
[M+NH4]+ 198.03316 152.4
[M+K]+ 218.96250 140.5
[M+H-H2O]+ 162.99660 126.2
[M+HCOO]- 224.99754 149.9
[M+CH3COO]- 239.01319 146.1
[M+Na-2H]- 200.97401 137.3
[M]+ 179.99879 135.8
[M]- 179.99989 135.8
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