CID 39197679

1007875-80-0

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
CC1=C(N2C(=C(SC2=N1)C)C)C(=O)O
InChI
InChI=1S/C9H10N2O2S/c1-4-7(8(12)13)11-5(2)6(3)14-9(11)10-4/h1-3H3,(H,12,13)
InChIKey
LDJHEQDLBXFQHX-UHFFFAOYSA-N
Compound name
2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

210.0463 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.053576 143.5
[M+Na]+ 233.035518 156.8
[M-H]- 209.039024 146.5
[M+NH4]+ 228.080123 165.5
[M+K]+ 249.009458 153.8
[M+H-H2O]+ 193.043560 139.0
[M+HCOO]- 255.044501 161.4
[M+CH3COO]- 269.060151 184.1
[M+Na-2H]- 231.020966 143.1
[M]+ 210.04575142 150.2
[M]- 210.04684858 150.2
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

patents stripe