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]+ 185.11070 141.3
[M+Na]+ 207.09264 147.9
[M-H]- 183.09614 142.3
[M+NH4]+ 202.13724 162.5
[M+K]+ 223.06658 144.4
[M+H-H2O]+ 167.10068 135.3
[M+HCOO]- 229.10162 152.0
[M+CH3COO]- 243.11727 152.5
[M+Na-2H]- 205.07809 141.7
[M]+ 184.10287 134.8
[M]- 184.10397 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.