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

14
Patents

170.08777 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.095046 137.8
[M+Na]+ 193.076988 143.6
[M-H]- 169.080494 137.3
[M+NH4]+ 188.121593 158.6
[M+K]+ 209.050928 139.5
[M+H-H2O]+ 153.085030 132.0
[M+HCOO]- 215.085971 147.4
[M+CH3COO]- 229.101621 148.4
[M+Na-2H]- 191.062436 139.0
[M]+ 170.08722142 128.8
[M]- 170.08831858 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