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]+ 171.095046 138.3
[M+Na]+ 193.076988 146.5
[M-H]- 169.080494 140.2
[M+NH4]+ 188.121593 162.0
[M+K]+ 209.050928 143.6
[M+H-H2O]+ 153.085030 133.0
[M+HCOO]- 215.085971 151.6
[M+CH3COO]- 229.101621 150.7
[M+Na-2H]- 191.062436 137.6
[M]+ 170.08722142 133.8
[M]- 170.08831858 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.