CID 4739638
1215648-14-8
Structural Information
- Molecular Formula
- C5H11N3S
- SMILES
- C1CN(CCN1)C(=S)N
- InChI
- InChI=1S/C5H11N3S/c6-5(9)8-3-1-7-2-4-8/h7H,1-4H2,(H2,6,9)
- InChIKey
- PVIJLUXKGBJNNI-UHFFFAOYSA-N
- Compound name
- piperazine-1-carbothioamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 146.07465 | 130.2 |
[M+Na]+ | 168.05659 | 135.4 |
[M-H]- | 144.06009 | 128.5 |
[M+NH4]+ | 163.10119 | 147.9 |
[M+K]+ | 184.03053 | 132.4 |
[M+H-H2O]+ | 128.06463 | 123.6 |
[M+HCOO]- | 190.06557 | 141.9 |
[M+CH3COO]- | 204.08122 | 170.4 |
[M+Na-2H]- | 166.04204 | 131.8 |
[M]+ | 145.06682 | 122.5 |
[M]- | 145.06792 | 122.5 |