CID 72207688

7-thia-2-azaspiro[3.5]nonane hydrochloride

Structural Information

Molecular Formula
C7H13NS
SMILES
C1CSCCC12CNC2
InChI
InChI=1S/C7H13NS/c1-3-9-4-2-7(1)5-8-6-7/h8H,1-6H2
InChIKey
FGITVYSAKWMASC-UHFFFAOYSA-N
Compound name
7-thia-2-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

143.07687 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08415 122.9
[M+Na]+ 166.06609 126.6
[M-H]- 142.06959 124.9
[M+NH4]+ 161.11069 138.2
[M+K]+ 182.04003 127.4
[M+H-H2O]+ 126.07413 112.4
[M+HCOO]- 188.07507 134.4
[M+CH3COO]- 202.09072 171.2
[M+Na-2H]- 164.05154 127.8
[M]+ 143.07632 125.4
[M]- 143.07742 125.4
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