CID 125425761

2-thiaspiro[3.5]nonan-7-amine;hydrochloride

Structural Information

Molecular Formula
C8H15NS
SMILES
C1CC2(CCC1N)CSC2
InChI
InChI=1S/C8H15NS/c9-7-1-3-8(4-2-7)5-10-6-8/h7H,1-6,9H2
InChIKey
MZAWAFWUIKXAJA-UHFFFAOYSA-N
Compound name
2-thiaspiro[3.5]nonan-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.09251 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09979 127.3
[M+Na]+ 180.08173 130.7
[M-H]- 156.08523 131.4
[M+NH4]+ 175.12633 143.5
[M+K]+ 196.05567 131.6
[M+H-H2O]+ 140.08977 116.8
[M+HCOO]- 202.09071 141.1
[M+CH3COO]- 216.10636 179.0
[M+Na-2H]- 178.06718 130.9
[M]+ 157.09196 129.9
[M]- 157.09306 129.9
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.