CID 64717350

3-(ethanesulfinyl)cyclohexan-1-amine

Structural Information

Molecular Formula
C8H17NOS
SMILES
CCS(=O)C1CCCC(C1)N
InChI
InChI=1S/C8H17NOS/c1-2-11(10)8-5-3-4-7(9)6-8/h7-8H,2-6,9H2,1H3
InChIKey
WZZVAVUXQCERPY-UHFFFAOYSA-N
Compound name
3-ethylsulfinylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.10309 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11037 137.9
[M+Na]+ 198.09231 142.7
[M-H]- 174.09581 140.3
[M+NH4]+ 193.13691 157.9
[M+K]+ 214.06625 140.6
[M+H-H2O]+ 158.10035 132.2
[M+HCOO]- 220.10129 152.7
[M+CH3COO]- 234.11694 180.6
[M+Na-2H]- 196.07776 137.8
[M]+ 175.10254 134.0
[M]- 175.10364 134.0
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.