CID 83295957

1517761-42-0

Structural Information

Molecular Formula
C9H10N4O2S
SMILES
CC(C)C1=C(SC(=N1)C2=NC=NN2)C(=O)O
InChI
InChI=1S/C9H10N4O2S/c1-4(2)5-6(9(14)15)16-8(12-5)7-10-3-11-13-7/h3-4H,1-2H3,(H,14,15)(H,10,11,13)
InChIKey
FOAKFMKLDXUQJD-UHFFFAOYSA-N
Compound name
4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05244 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05972 150.2
[M+Na]+ 261.04166 161.0
[M-H]- 237.04516 151.3
[M+NH4]+ 256.08626 165.7
[M+K]+ 277.01560 157.5
[M+H-H2O]+ 221.04970 143.1
[M+HCOO]- 283.05064 164.8
[M+CH3COO]- 297.06629 184.2
[M+Na-2H]- 259.02711 148.6
[M]+ 238.05189 153.2
[M]- 238.05299 153.2
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.