CID 214686

33695-22-6

Structural Information

Molecular Formula
C14H19NO2S
SMILES
C1CCC(CC1)C2=NC3=C(S2)CCCC3C(=O)O
InChI
InChI=1S/C14H19NO2S/c16-14(17)10-7-4-8-11-12(10)15-13(18-11)9-5-2-1-3-6-9/h9-10H,1-8H2,(H,16,17)
InChIKey
QAZCUNJOZMPEDB-UHFFFAOYSA-N
Compound name
2-cyclohexyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.11365 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12093 160.5
[M+Na]+ 288.10287 165.0
[M-H]- 264.10637 164.2
[M+NH4]+ 283.14747 178.0
[M+K]+ 304.07681 161.1
[M+H-H2O]+ 248.11091 154.1
[M+HCOO]- 310.11185 170.2
[M+CH3COO]- 324.12750 170.3
[M+Na-2H]- 286.08832 158.6
[M]+ 265.11310 155.7
[M]- 265.11420 155.7
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.