CID 28787090

[1-(thiomorpholin-4-yl)cyclohexyl]methanamine

Structural Information

Molecular Formula
C11H22N2S
SMILES
C1CCC(CC1)(CN)N2CCSCC2
InChI
InChI=1S/C11H22N2S/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13/h1-10,12H2
InChIKey
XDIJCJULDXMESE-UHFFFAOYSA-N
Compound name
(1-thiomorpholin-4-ylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.15038 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.157656 149.2
[M+Na]+ 237.139598 151.3
[M-H]- 213.143104 151.9
[M+NH4]+ 232.184203 167.6
[M+K]+ 253.113538 148.4
[M+H-H2O]+ 197.147640 141.9
[M+HCOO]- 259.148581 159.9
[M+CH3COO]- 273.164231 158.6
[M+Na-2H]- 235.125046 150.5
[M]+ 214.14983142 140.1
[M]- 214.15092858 140.1
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

No patent data available for this compound.