CID 7533

Cyclamic acid

Structural Information

Molecular Formula

C₆H₁₃NO₃S

SMILES

C1CCC(CC1)NS(=O)(=O)O

InChI

InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)

InChIKey

HCAJEUSONLESMK-UHFFFAOYSA-N

Compound name

cyclohexylsulfamic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 693
References: 140748
Patents: 179.06161 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.068886	135.3
[M+Na]+	202.050828	140.3
[M-H]-	178.054334	136.8
[M+NH4]+	197.095433	154.4
[M+K]+	218.024768	138.3
[M+H-H2O]+	162.058870	130.1
[M+HCOO]-	224.059811	150.1
[M+CH3COO]-	238.075461	174.3
[M+Na-2H]-	200.036276	139.7
[M]+	179.06106142	131.8
[M]-	179.06215858	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe