CID 3086782

111964-38-6

Structural Information

Molecular Formula
C8H14N2S
SMILES
CN1C(=S)NCC12CCCC2
InChI
InChI=1S/C8H14N2S/c1-10-7(11)9-6-8(10)4-2-3-5-8/h2-6H2,1H3,(H,9,11)
InChIKey
ODCXBDLSDFRTMI-UHFFFAOYSA-N
Compound name
1-methyl-1,3-diazaspiro[4.4]nonane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08777 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09505 138.3
[M+Na]+ 193.07699 146.5
[M-H]- 169.08049 140.2
[M+NH4]+ 188.12159 162.0
[M+K]+ 209.05093 143.6
[M+H-H2O]+ 153.08503 133.0
[M+HCOO]- 215.08597 151.6
[M+CH3COO]- 229.10162 150.7
[M+Na-2H]- 191.06244 137.6
[M]+ 170.08722 133.8
[M]- 170.08832 133.8
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.