CID 27159
Cartap
Structural Information
- Molecular Formula
- C7H15N3O2S2
- SMILES
- CN(C)C(CSC(=O)N)CSC(=O)N
- InChI
- InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)
- InChIKey
- IRUJZVNXZWPBMU-UHFFFAOYSA-N
- Compound name
- S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 238.06784 | 152.0 |
[M+Na]+ | 260.04978 | 155.2 |
[M-H]- | 236.05328 | 151.4 |
[M+NH4]+ | 255.09438 | 168.5 |
[M+K]+ | 276.02372 | 153.0 |
[M+H-H2O]+ | 220.05782 | 144.4 |
[M+HCOO]- | 282.05876 | 162.9 |
[M+CH3COO]- | 296.07441 | 199.0 |
[M+Na-2H]- | 258.03523 | 148.5 |
[M]+ | 237.06001 | 152.0 |
[M]- | 237.06111 | 152.0 |