CID 62389539

6-thiaspiro[2.5]octan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H13NS
SMILES
C1CSCCC12CC2N
InChI
InChI=1S/C7H13NS/c8-6-5-7(6)1-3-9-4-2-7/h6H,1-5,8H2
InChIKey
FZRAQIRSDKKSAY-UHFFFAOYSA-N
Compound name
6-thiaspiro[2.5]octan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.07687 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.084146 124.3
[M+Na]+ 166.066088 131.9
[M-H]- 142.069594 130.0
[M+NH4]+ 161.110693 143.0
[M+K]+ 182.040028 130.1
[M+H-H2O]+ 126.074130 119.2
[M+HCOO]- 188.075071 140.4
[M+CH3COO]- 202.090721 137.2
[M+Na-2H]- 164.051536 129.4
[M]+ 143.07632142 122.2
[M]- 143.07741858 122.2
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.