CID 3038034

1,3-diazaspiro[4.5]decane-2-thione

Structural Information

Molecular Formula
C8H14N2S
SMILES
C1CCC2(CC1)CNC(=S)N2
InChI
InChI=1S/C8H14N2S/c11-7-9-6-8(10-7)4-2-1-3-5-8/h1-6H2,(H2,9,10,11)
InChIKey
DEDAVCXMGAYECA-UHFFFAOYSA-N
Compound name
1,3-diazaspiro[4.5]decane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

170.08777 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09505 137.8
[M+Na]+ 193.07699 143.6
[M-H]- 169.08049 137.3
[M+NH4]+ 188.12159 158.6
[M+K]+ 209.05093 139.5
[M+H-H2O]+ 153.08503 132.0
[M+HCOO]- 215.08597 147.4
[M+CH3COO]- 229.10162 148.4
[M+Na-2H]- 191.06244 139.0
[M]+ 170.08722 128.8
[M]- 170.08832 128.8
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