CID 5221819

2089255-19-4

Structural Information

Molecular Formula
C10H13NO2S
SMILES
C1CCC(C1)C2=CSC(=N2)CC(=O)O
InChI
InChI=1S/C10H13NO2S/c12-10(13)5-9-11-8(6-14-9)7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13)
InChIKey
BAZUOQRHUNLPEN-UHFFFAOYSA-N
Compound name
2-(4-cyclopentyl-1,3-thiazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0667 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.073976 148.0
[M+Na]+ 234.055918 155.2
[M-H]- 210.059424 152.5
[M+NH4]+ 229.100523 168.8
[M+K]+ 250.029858 152.8
[M+H-H2O]+ 194.063960 142.3
[M+HCOO]- 256.064901 164.3
[M+CH3COO]- 270.080551 180.0
[M+Na-2H]- 232.041366 145.8
[M]+ 211.06615142 147.7
[M]- 211.06724858 147.7
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.