CID 64982443

1488791-28-1

Structural Information

Molecular Formula
C10H13NO2S
SMILES
CC1=C(SC(=N1)C2CCC2)CC(=O)O
InChI
InChI=1S/C10H13NO2S/c1-6-8(5-9(12)13)14-10(11-6)7-3-2-4-7/h7H,2-5H2,1H3,(H,12,13)
InChIKey
OVLIMIZSBAJETR-UHFFFAOYSA-N
Compound name
2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 141.6
[M+Na]+ 234.05592 147.4
[M-H]- 210.05942 145.7
[M+NH4]+ 229.10052 154.1
[M+K]+ 250.02986 147.7
[M+H-H2O]+ 194.06396 130.0
[M+HCOO]- 256.06490 156.3
[M+CH3COO]- 270.08055 185.9
[M+Na-2H]- 232.04137 140.3
[M]+ 211.06615 151.4
[M]- 211.06725 151.4
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.