CID 64400138

4,4-dimethylcyclohexane-1-sulfonamide

Structural Information

Molecular Formula
C8H17NO2S
SMILES
CC1(CCC(CC1)S(=O)(=O)N)C
InChI
InChI=1S/C8H17NO2S/c1-8(2)5-3-7(4-6-8)12(9,10)11/h7H,3-6H2,1-2H3,(H2,9,10,11)
InChIKey
OJKXYRPFRFQMNH-UHFFFAOYSA-N
Compound name
4,4-dimethylcyclohexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.098 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10528 139.6
[M+Na]+ 214.08722 146.0
[M-H]- 190.09072 142.4
[M+NH4]+ 209.13182 161.1
[M+K]+ 230.06116 144.1
[M+H-H2O]+ 174.09526 135.4
[M+HCOO]- 236.09620 154.3
[M+CH3COO]- 250.11185 180.8
[M+Na-2H]- 212.07267 143.2
[M]+ 191.09745 137.1
[M]- 191.09855 137.1
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

patents stripe