CID 118209775

2567497-57-6

Structural Information

Molecular Formula
C7H13NS
SMILES
C1CNCCC12CCS2
InChI
InChI=1S/C7H13NS/c1-4-8-5-2-7(1)3-6-9-7/h8H,1-6H2
InChIKey
XZPLURIXFCLRGW-UHFFFAOYSA-N
Compound name
1-thia-7-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

143.07687 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.084146 122.9
[M+Na]+ 166.066088 126.6
[M-H]- 142.069594 124.9
[M+NH4]+ 161.110693 138.2
[M+K]+ 182.040028 127.4
[M+H-H2O]+ 126.074130 112.4
[M+HCOO]- 188.075071 134.4
[M+CH3COO]- 202.090721 171.2
[M+Na-2H]- 164.051536 127.8
[M]+ 143.07632142 125.4
[M]- 143.07741858 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