CID 95242250

(1r,2s)-2-aminocyclohexane-1-sulfonamidehydrochloride

Structural Information

Molecular Formula
C6H14N2O2S
SMILES
C1CC[C@H]([C@H](C1)N)S(=O)(=O)N
InChI
InChI=1S/C6H14N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h5-6H,1-4,7H2,(H2,8,9,10)/t5-,6+/m0/s1
InChIKey
VYECHIIVAZFIRI-NTSWFWBYSA-N
Compound name
(1R,2S)-2-aminocyclohexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.0776 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08488 135.5
[M+Na]+ 201.06682 141.0
[M-H]- 177.07032 137.6
[M+NH4]+ 196.11142 154.7
[M+K]+ 217.04076 138.6
[M+H-H2O]+ 161.07486 130.0
[M+HCOO]- 223.07580 151.1
[M+CH3COO]- 237.09145 179.7
[M+Na-2H]- 199.05227 137.9
[M]+ 178.07705 129.9
[M]- 178.07815 129.9
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.