CID 65195789

1482892-12-5

Structural Information

Molecular Formula
C10H11N3O2S
SMILES
CC1=C(SC(=N1)C2=NN(C=C2)C)CC(=O)O
InChI
InChI=1S/C10H11N3O2S/c1-6-8(5-9(14)15)16-10(11-6)7-3-4-13(2)12-7/h3-4H,5H2,1-2H3,(H,14,15)
InChIKey
MKKGCPNOSUKZFX-UHFFFAOYSA-N
Compound name
2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0572 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06448 150.2
[M+Na]+ 260.04642 162.3
[M-H]- 236.04992 154.0
[M+NH4]+ 255.09102 168.2
[M+K]+ 276.02036 158.9
[M+H-H2O]+ 220.05446 143.6
[M+HCOO]- 282.05540 168.3
[M+CH3COO]- 296.07105 186.9
[M+Na-2H]- 258.03187 149.0
[M]+ 237.05665 155.9
[M]- 237.05775 155.9
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.