CID 3025226

102280-89-7

Structural Information

Molecular Formula
C14H27NO2S
SMILES
CS(=O)(=O)NC1CCC(CC1)CC2CCCCC2
InChI
InChI=1S/C14H27NO2S/c1-18(16,17)15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h12-15H,2-11H2,1H3
InChIKey
BTHYBBSEDAMNFO-UHFFFAOYSA-N
Compound name
N-[4-(cyclohexylmethyl)cyclohexyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17624 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18352 163.7
[M+Na]+ 296.16546 165.1
[M-H]- 272.16896 168.1
[M+NH4]+ 291.21006 179.4
[M+K]+ 312.13940 161.8
[M+H-H2O]+ 256.17350 156.8
[M+HCOO]- 318.17444 174.5
[M+CH3COO]- 332.19009 196.9
[M+Na-2H]- 294.15091 163.8
[M]+ 273.17569 157.3
[M]- 273.17679 157.3
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.