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 152.5
[M+Na]+ 260.04642 164.2
[M+NH4]+ 255.09102 159.1
[M+K]+ 276.02036 161.1
[M-H]- 236.04992 153.0
[M+Na-2H]- 258.03187 157.2
[M]+ 237.05665 154.6
[M]- 237.05775 154.6
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.