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]+ 212.073976 141.6
[M+Na]+ 234.055918 147.4
[M-H]- 210.059424 145.7
[M+NH4]+ 229.100523 154.1
[M+K]+ 250.029858 147.7
[M+H-H2O]+ 194.063960 130.0
[M+HCOO]- 256.064901 156.3
[M+CH3COO]- 270.080551 185.9
[M+Na-2H]- 232.041366 140.3
[M]+ 211.06615142 151.4
[M]- 211.06724858 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.