CID 79856543

Lithium(1+) 4,4-dimethyl-4h,5h,6h-cyclopenta[d][1,3]thiazole-2-carboxylate

Structural Information

Molecular Formula
C9H11NO2S
SMILES
CC1(CCC2=C1N=C(S2)C(=O)O)C
InChI
InChI=1S/C9H11NO2S/c1-9(2)4-3-5-6(9)10-7(13-5)8(11)12/h3-4H2,1-2H3,(H,11,12)
InChIKey
IYIGEKREJSBKLA-UHFFFAOYSA-N
Compound name
4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.05106 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 141.7
[M+Na]+ 220.04028 152.1
[M-H]- 196.04378 144.7
[M+NH4]+ 215.08488 166.8
[M+K]+ 236.01422 149.8
[M+H-H2O]+ 180.04832 138.3
[M+HCOO]- 242.04926 158.0
[M+CH3COO]- 256.06491 179.2
[M+Na-2H]- 218.02573 142.7
[M]+ 197.05051 144.7
[M]- 197.05161 144.7
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.