CID 84719803

(4-methanesulfonylcyclohexyl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H17NO2S
SMILES
CS(=O)(=O)C1CCC(CC1)CN
InChI
InChI=1S/C8H17NO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h7-8H,2-6,9H2,1H3
InChIKey
WZPFRVCDAPDDTB-UHFFFAOYSA-N
Compound name
(4-methylsulfonylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

191.098 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.105276 140.7
[M+Na]+ 214.087218 146.3
[M-H]- 190.090724 143.2
[M+NH4]+ 209.131823 160.2
[M+K]+ 230.061158 144.0
[M+H-H2O]+ 174.095260 135.4
[M+HCOO]- 236.096201 155.5
[M+CH3COO]- 250.111851 181.3
[M+Na-2H]- 212.072666 142.7
[M]+ 191.09745142 137.7
[M]- 191.09854858 137.7
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