CID 793656
5579-43-1
Structural Information
- Molecular Formula
- C13H20N2S
- SMILES
- C1CCC2(CC1)C3=C(CCCC3)NC(=S)N2
- InChI
- InChI=1S/C13H20N2S/c16-12-14-11-7-3-2-6-10(11)13(15-12)8-4-1-5-9-13/h1-9H2,(H2,14,15,16)
- InChIKey
- BNFUEZMEJGCGKN-UHFFFAOYSA-N
- Compound name
- spiro[1,3,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-thione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 237.14200 | 153.4 |
[M+Na]+ | 259.12394 | 157.2 |
[M-H]- | 235.12744 | 152.4 |
[M+NH4]+ | 254.16854 | 170.4 |
[M+K]+ | 275.09788 | 151.1 |
[M+H-H2O]+ | 219.13198 | 146.2 |
[M+HCOO]- | 281.13292 | 157.5 |
[M+CH3COO]- | 295.14857 | 161.4 |
[M+Na-2H]- | 257.10939 | 155.6 |
[M]+ | 236.13417 | 141.7 |
[M]- | 236.13527 | 141.7 |
Literature stripe
Patent stripe
No patent data available for this compound.