CID 39197653

1181373-40-9

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
CC1=CN2C=C(N=C2S1)CC(=O)O
InChI
InChI=1S/C8H8N2O2S/c1-5-3-10-4-6(2-7(11)12)9-8(10)13-5/h3-4H,2H2,1H3,(H,11,12)
InChIKey
DMFXCYUDQZPWFQ-UHFFFAOYSA-N
Compound name
2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

196.03065 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.037926 139.6
[M+Na]+ 219.019868 151.7
[M-H]- 195.023374 142.1
[M+NH4]+ 214.064473 161.6
[M+K]+ 234.993808 149.1
[M+H-H2O]+ 179.027910 134.6
[M+HCOO]- 241.028851 158.0
[M+CH3COO]- 255.044501 178.8
[M+Na-2H]- 217.005316 141.0
[M]+ 196.03010142 145.2
[M]- 196.03119858 145.2
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