CID 137942261

1-(1,3-thiazol-2-yl)bicyclo[2.1.1]hexane-5-carboxylic acid

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]+ 210.058336 148.0
[M+Na]+ 232.040278 154.6
[M-H]- 208.043784 150.6
[M+NH4]+ 227.084883 169.6
[M+K]+ 248.014218 155.8
[M+H-H2O]+ 192.048320 141.6
[M+HCOO]- 254.049261 160.6
[M+CH3COO]- 268.064911 160.1
[M+Na-2H]- 230.025726 150.6
[M]+ 209.05051142 162.8
[M]- 209.05160858 162.8
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.