CID 132371658

Rac-[(1r,3s)-3-aminocyclopentyl]methanesulfonamide hydrochloride

Structural Information

Molecular Formula
C6H14N2O2S
SMILES
C1C[C@H](C[C@H]1CS(=O)(=O)N)N
InChI
InChI=1S/C6H14N2O2S/c7-6-2-1-5(3-6)4-11(8,9)10/h5-6H,1-4,7H2,(H2,8,9,10)/t5-,6+/m0/s1
InChIKey
KOHAHIQTQOBDEU-NTSWFWBYSA-N
Compound name
[(1S,3R)-3-aminocyclopentyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.0776 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08488 136.8
[M+Na]+ 201.06682 143.4
[M-H]- 177.07032 139.3
[M+NH4]+ 196.11142 157.9
[M+K]+ 217.04076 141.0
[M+H-H2O]+ 161.07486 131.6
[M+HCOO]- 223.07580 154.6
[M+CH3COO]- 237.09145 179.3
[M+Na-2H]- 199.05227 138.0
[M]+ 178.07705 133.4
[M]- 178.07815 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.