CID 3038033

13157-23-8

Structural Information

Molecular Formula
C7H12N2S
SMILES
C1CCC2(C1)CNC(=S)N2
InChI
InChI=1S/C7H12N2S/c10-6-8-5-7(9-6)3-1-2-4-7/h1-5H2,(H2,8,9,10)
InChIKey
XKCULAZNVTWJLC-UHFFFAOYSA-N
Compound name
1,3-diazaspiro[4.4]nonane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07211 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.079386 135.0
[M+Na]+ 179.061328 142.3
[M-H]- 155.064834 135.3
[M+NH4]+ 174.105933 158.2
[M+K]+ 195.035268 138.9
[M+H-H2O]+ 139.069370 129.7
[M+HCOO]- 201.070311 147.2
[M+CH3COO]- 215.085961 146.7
[M+Na-2H]- 177.046776 135.0
[M]+ 156.07156142 128.0
[M]- 156.07265858 128.0
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.