CID 165639047

2354173-10-5

Structural Information

Molecular Formula
C14H19NO4S
SMILES
C1CC(CCC1CC2=CC=CC=C2S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C14H19NO4S/c15-20(18,19)13-4-2-1-3-12(13)9-10-5-7-11(8-6-10)14(16)17/h1-4,10-11H,5-9H2,(H,16,17)(H2,15,18,19)
InChIKey
CTUAUEFZQAKSFO-UHFFFAOYSA-N
Compound name
4-[(2-sulfamoylphenyl)methyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1035 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11078 165.7
[M+Na]+ 320.09272 170.1
[M-H]- 296.09622 169.6
[M+NH4]+ 315.13732 179.6
[M+K]+ 336.06666 166.1
[M+H-H2O]+ 280.10076 158.9
[M+HCOO]- 342.10170 178.2
[M+CH3COO]- 356.11735 198.4
[M+Na-2H]- 318.07817 165.9
[M]+ 297.10295 162.5
[M]- 297.10405 162.5
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.