CID 3086783

Tt-66-83

Structural Information

Molecular Formula
C9H16N2S
SMILES
CN1C(=S)NCC12CCCCC2
InChI
InChI=1S/C9H16N2S/c1-11-8(12)10-7-9(11)5-3-2-4-6-9/h2-7H2,1H3,(H,10,12)
InChIKey
LOJWTGBSBQXAKS-UHFFFAOYSA-N
Compound name
1-methyl-1,3-diazaspiro[4.5]decane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10342 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.110696 141.3
[M+Na]+ 207.092638 147.9
[M-H]- 183.096144 142.3
[M+NH4]+ 202.137243 162.5
[M+K]+ 223.066578 144.4
[M+H-H2O]+ 167.100680 135.3
[M+HCOO]- 229.101621 152.0
[M+CH3COO]- 243.117271 152.5
[M+Na-2H]- 205.078086 141.7
[M]+ 184.10287142 134.8
[M]- 184.10396858 134.8
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

No patent data available for this compound.