CID 137942261

2287281-66-5

Structural Information

Molecular Formula
C10H11NO2S
SMILES
C1CC2(CC1C2C(=O)O)C3=NC=CS3
InChI
InChI=1S/C10H11NO2S/c12-8(13)7-6-1-2-10(7,5-6)9-11-3-4-14-9/h3-4,6-7H,1-2,5H2,(H,12,13)
InChIKey
KDBRBFSRYHYODS-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-2-yl)bicyclo[2.1.1]hexane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.05106 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05834 135.0
[M+Na]+ 232.04028 138.0
[M+NH4]+ 227.08488 142.2
[M+K]+ 248.01422 137.3
[M-H]- 208.04378 130.9
[M+Na-2H]- 230.02573 133.4
[M]+ 209.05051 133.4
[M]- 209.05161 133.4
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.