CID 58300401

1-thia-4-azaspiro[5.5]undecane

Structural Information

Molecular Formula
C9H17NS
SMILES
C1CCC2(CC1)CNCCS2
InChI
InChI=1S/C9H17NS/c1-2-4-9(5-3-1)8-10-6-7-11-9/h10H,1-8H2
InChIKey
UXMJMQZMIIBTSI-UHFFFAOYSA-N
Compound name
1-thia-4-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

171.10817 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.11545 137.4
[M+Na]+ 194.09739 140.6
[M-H]- 170.10089 138.7
[M+NH4]+ 189.14199 157.9
[M+K]+ 210.07133 137.7
[M+H-H2O]+ 154.10543 131.2
[M+HCOO]- 216.10637 147.0
[M+CH3COO]- 230.12202 147.7
[M+Na-2H]- 192.08284 141.0
[M]+ 171.10762 128.0
[M]- 171.10872 128.0
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