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

19
Patents

191.098 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10528 140.7
[M+Na]+ 214.08722 146.3
[M-H]- 190.09072 143.2
[M+NH4]+ 209.13182 160.2
[M+K]+ 230.06116 144.0
[M+H-H2O]+ 174.09526 135.4
[M+HCOO]- 236.09620 155.5
[M+CH3COO]- 250.11185 181.3
[M+Na-2H]- 212.07267 142.7
[M]+ 191.09745 137.7
[M]- 191.09855 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